CAS RN: 96787-63-2
CAS Name: 2-propenoic acid ethyl ester; tetrachloromethane
OPENEYE Name: carbon tetrachloride; ethyl prop-2-enoate
IUPAC Name: ethyl prop-2-enoate; tetrachloromethane
SYSTEMATIC NAME: ethyl prop-2-enoate; tetrakis(chloranyl)methane
MOLECULAR FORMULA: C6H8Cl4O2
MOLECULAR WEIGHT: 253.93852
SMILES: CCOC(=O)C=C.C(Cl)(Cl)(Cl)Cl
Structure:
CAS RN: 97181-17-4
CAS Name: (E)-N-[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-piperidinyl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide hydrochloride
OPENEYE Name: (E)-N-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-piperidyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide hydrochloride
IUPAC Name: (E)-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide hydrochloride
SYSTEMATIC NAME: (E)-N-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-4-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide hydrochloride
MOLECULAR FORMULA: C23H34ClN3O5
MOLECULAR WEIGHT: 467.98616
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2CCN(CC2)CC(=O)N3CCCC3.Cl
Structure:
CAS RN: 97670-09-2
CAS Name: N-(4-methoxyphenyl)carbamic acid [(Z)-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1-phenylpropylidene]amino] ester dihydrochloride
OPENEYE Name: [(Z)-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1-phenyl-propylidene]amino] N-(4-methoxyphenyl)carbamate dihydrochloride
IUPAC Name: [(Z)-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate dihydrochloride
SYSTEMATIC NAME: [(Z)-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1-phenyl-propylidene]amino] N-(4-methoxyphenyl)carbamate dihydrochloride
MOLECULAR FORMULA: C24H32Cl2N4O3
MOLECULAR WEIGHT: 495.44188
SMILES: CN1C2CCC1CN(C2)CC/C(=N/OC(=O)NC3=CC=C(C=C3)OC)/C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 93591-74-3
CAS Name: 3-(dimethylamino)-1-(2-methyl-2,3-dihydrobenzofuran-5-yl)-1-propanone hydrochloride
OPENEYE Name: 3-(dimethylamino)-1-(2-methyl-2,3-dihydrobenzofuran-5-yl)propan-1-one hydrochloride
IUPAC Name: 3-(dimethylamino)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-(dimethylamino)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one hydrochloride
MOLECULAR FORMULA: C14H20ClNO2
MOLECULAR WEIGHT: 269.7671
SMILES: CC1CC2=C(O1)C=CC(=C2)C(=O)CCN(C)C.Cl
Structure:
CAS RN: 97670-14-9
CAS Name: N-(4-methoxyphenyl)carbamic acid [(Z)-[3-(3,3-dibutyl-1-azetidinyl)-1-phenylpropylidene]amino] ester hydrochloride
OPENEYE Name: [(Z)-[3-(3,3-dibutylazetidin-1-yl)-1-phenyl-propylidene]amino] N-(4-methoxyphenyl)carbamate hydrochloride
IUPAC Name: [(Z)-[3-(3,3-dibutylazetidin-1-yl)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [(Z)-[3-(3,3-dibutylazetidin-1-yl)-1-phenyl-propylidene]amino] N-(4-methoxyphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C28H40ClN3O3
MOLECULAR WEIGHT: 502.0885
SMILES: CCCCC1(CN(C1)CC/C(=N/OC(=O)NC2=CC=C(C=C2)OC)/C3=CC=CC=C3)CCCC.Cl
Structure:
CAS RN: 95555-43-4
CAS Name: 1-(2,3-dihydro-1H-inden-4-yloxy)-3-[methyl(2-pyridin-4-ylethyl)amino]-2-propanol
OPENEYE Name: 1-indan-4-yloxy-3-[methyl-[2-(4-pyridyl)ethyl]amino]propan-2-ol
IUPAC Name: 1-(2,3-dihydro-1H-inden-4-yloxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
SYSTEMATIC NAME: 1-(2,3-dihydro-1H-inden-4-yloxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CN(CCC1=CC=NC=C1)CC(COC2=CC=CC3=C2CCC3)O
Structure:
CAS RN: 90742-89-5
CAS Name: 1-[2,3-dichloro-6-[1-(1-imidazolyl)ethenyl]phenoxy]-3-(propan-2-ylamino)-2-propanol; oxalic acid; hydrate
OPENEYE Name: 1-[2,3-dichloro-6-(1-imidazol-1-ylvinyl)phenoxy]-3-(isopropylamino)propan-2-ol; oxalic acid; hydrate
IUPAC Name: 1-[2,3-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; oxalic acid; hydrate
SYSTEMATIC NAME: 1-[2,3-bis(chloranyl)-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; ethanedioic acid; hydrate
MOLECULAR FORMULA: C42H52Cl4N6O21
MOLECULAR WEIGHT: 1118.70188
SMILES: CC(C)NCC(COC1=C(C=CC(=C1Cl)Cl)C(=C)N2C=CN=C2)O.CC(C)NCC(COC1=C(C=CC(=C1Cl)Cl)C(=C)N2C=CN=C2)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O
Structure:
CAS RN: 93599-09-8
CAS Name: 2-methyl-2-[(Z)-1-[5-(4-methylphenyl)-2-thiophenyl]ethylideneamino]oxypropanoic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-2-[(Z)-1-[5-(p-tolyl)-2-thienyl]ethylideneamino]oxy-propanoate
IUPAC Name: ethyl 2-methyl-2-[(Z)-1-[5-(4-methylphenyl)thiophen-2-yl]ethylideneamino]oxypropanoate
SYSTEMATIC NAME: ethyl 2-methyl-2-[(Z)-1-[5-(4-methylphenyl)thiophen-2-yl]ethylideneamino]oxy-propanoate
MOLECULAR FORMULA: C19H23NO3S
MOLECULAR WEIGHT: 345.45582
SMILES: CCOC(=O)C(C)(C)O/N=C(/C)\C1=CC=C(S1)C2=CC=C(C=C2)C
Structure:
CAS RN: 93599-21-4
CAS Name: 2-[(Z)-1-[5-(4-ethylphenyl)-2-thiophenyl]ethylideneamino]oxy-2-methylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(Z)-1-[5-(4-ethylphenyl)-2-thienyl]ethylideneamino]oxy-2-methyl-propanoate
IUPAC Name: ethyl 2-[(Z)-1-[5-(4-ethylphenyl)thiophen-2-yl]ethylideneamino]oxy-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-[(Z)-1-[5-(4-ethylphenyl)thiophen-2-yl]ethylideneamino]oxy-2-methyl-propanoate
MOLECULAR FORMULA: C20H25NO3S
MOLECULAR WEIGHT: 359.4824
SMILES: CCC1=CC=C(C=C1)C2=CC=C(S2)/C(=N\OC(C)(C)C(=O)OCC)/C
Structure:
CAS RN: 91119-67-4
CAS Name: 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxy-2-methylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxy-2-methyl-propanoate
IUPAC Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxy-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-[(Z)-1-(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)ethylideneamino]oxy-2-methyl-propanoate
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: CCN1C(=O)COC2=C1C=C(C=C2)/C(=N\OC(C)(C)C(=O)OCC)/C
Structure:
CAS RN: 91119-66-3
CAS Name: 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoate
IUPAC Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoate
SYSTEMATIC NAME: ethyl 2-[(Z)-1-(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoate
MOLECULAR FORMULA: C17H22N2O5
MOLECULAR WEIGHT: 334.36698
SMILES: CCN1C(=O)COC2=C1C=C(C=C2)/C(=N\OC(C)C(=O)OCC)/C
Structure:
CAS RN: 91119-89-0
CAS Name: 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxypropanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxypropanoate
IUPAC Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxypropanoate
SYSTEMATIC NAME: ethyl 2-[(Z)-1-(4-ethyl-3-oxidanylidene-1,4-benzothiazin-6-yl)ethylideneamino]oxypropanoate
MOLECULAR FORMULA: C17H22N2O4S
MOLECULAR WEIGHT: 350.43258
SMILES: CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N\OC(C)C(=O)OCC)/C
Structure:
CAS RN: 96804-62-5
CAS Name: 3-[dimethylamino-[(prop-2-enylamino)-sulfanylidenemethyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl 3-[allylcarbamothioyl(dimethylamino)amino]propanoate
IUPAC Name: methyl 3-[dimethylamino(prop-2-enylcarbamothioyl)amino]propanoate
SYSTEMATIC NAME: methyl 3-[dimethylamino(prop-2-enylcarbamothioyl)amino]propanoate
MOLECULAR FORMULA: C10H19N3O2S
MOLECULAR WEIGHT: 245.34176
SMILES: CN(C)N(CCC(=O)OC)C(=S)NCC=C
Structure:
CAS RN: 91119-53-8
CAS Name: 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoate
IUPAC Name: ethyl 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoate
SYSTEMATIC NAME: ethyl 2-[(Z)-1-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoate
MOLECULAR FORMULA: C16H20N2O5
MOLECULAR WEIGHT: 320.3404
SMILES: CCOC(=O)C(C)O/N=C(/C)\C1=CC2=C(C=C1)OCC(=O)N2C
Structure:
CAS RN: 90729-20-7
CAS Name: carbamic acid [2-(carbamothioyloxymethyl)-2-methylpentyl] ester
OPENEYE Name: [2-(carbamothioyloxymethyl)-2-methyl-pentyl] carbamate
IUPAC Name: [2-(carbamothioyloxymethyl)-2-methylpentyl] carbamate
SYSTEMATIC NAME: [2-(carbamothioyloxymethyl)-2-methyl-pentyl] carbamate
MOLECULAR FORMULA: C9H18N2O3S
MOLECULAR WEIGHT: 234.31582
SMILES: CCCC(C)(COC(=O)N)COC(=S)N
Structure:
CAS RN: 91565-32-1
CAS Name: carbamic acid [2-methyl-2-[[(propan-2-ylamino)-sulfanylidenemethoxy]methyl]pentyl] ester
OPENEYE Name: [2-(isopropylcarbamothioyloxymethyl)-2-methyl-pentyl] carbamate
IUPAC Name: [2-methyl-2-(propan-2-ylcarbamothioyloxymethyl)pentyl] carbamate
SYSTEMATIC NAME: [2-methyl-2-(propan-2-ylcarbamothioyloxymethyl)pentyl] carbamate
MOLECULAR FORMULA: C12H24N2O3S
MOLECULAR WEIGHT: 276.39556
SMILES: CCCC(C)(COC(=O)N)COC(=S)NC(C)C
Structure:
CAS RN: 91144-51-3
CAS Name: carbamic acid 3-carbamoyloxypropyl ester
OPENEYE Name: 3-carbamoyloxypropyl carbamate
IUPAC Name: 3-carbamoyloxypropyl carbamate
SYSTEMATIC NAME: 3-aminocarbonyloxypropyl carbamate
MOLECULAR FORMULA: C5H10N2O4
MOLECULAR WEIGHT: 162.1439
SMILES: C(COC(=O)N)COC(=O)N
Structure:
CAS RN: 95968-70-0
CAS Name: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylpropane-1,3-diamine hydrate trihydrochloride
OPENEYE Name: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethyl-propane-1,3-diamine hydrate trihydrochloride
IUPAC Name: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylpropane-1,3-diamine hydrate trihydrochloride
SYSTEMATIC NAME: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethyl-propane-1,3-diamine hydrate trihydrochloride
MOLECULAR FORMULA: C20H32Cl3N3O2
MOLECULAR WEIGHT: 452.84598
SMILES: CCN(CC)CCCNC1C2=C(COC3=CC=CC=C13)N=CC=C2.O.Cl.Cl.Cl
Structure:
CAS RN: 95725-35-2
CAS Name: N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine oxide dihydrochloride
OPENEYE Name: N',N'-bis(2-chloroethyl)-N,N-diethyl-propane-1,3-diamine oxide dihydrochloride
IUPAC Name: N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine oxide dihydrochloride
SYSTEMATIC NAME: N',N'-bis(2-chloroethyl)-N,N-diethyl-propane-1,3-diamine oxide dihydrochloride
MOLECULAR FORMULA: C11H26Cl4N2O2
MOLECULAR WEIGHT: 360.14834
SMILES: CC[N+](CC)(CCC[N+](CCCl)(CCCl)[O-])[O-].Cl.Cl
Structure:
CAS RN: 102612-73-7
CAS Name: N,N-bis(2-chloroethyl)-N',N'-bis(phenylmethyl)propane-1,3-diamine; 2,4,6-trinitrophenol
OPENEYE Name: N',N'-dibenzyl-N,N-bis(2-chloroethyl)propane-1,3-diamine; picric acid
IUPAC Name: N',N'-dibenzyl-N,N-bis(2-chloroethyl)propane-1,3-diamine; 2,4,6-trinitrophenol
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-N',N'-bis(phenylmethyl)propane-1,3-diamine; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C33H34Cl2N8O14
MOLECULAR WEIGHT: 837.57426
SMILES: C1=CC=C(C=C1)CN(CCCN(CCCl)CCCl)CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 102612-72-6
CAS Name: N,N-bis(2-chloroethyl)-N',N'-bis(phenylmethyl)propane-1,3-diamine oxide; 2,4,6-trinitrophenol
OPENEYE Name: N',N'-dibenzyl-N,N-bis(2-chloroethyl)propane-1,3-diamine oxide; picric acid
IUPAC Name: N',N'-dibenzyl-N,N-bis(2-chloroethyl)propane-1,3-diamine oxide; 2,4,6-trinitrophenol
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-N',N'-bis(phenylmethyl)propane-1,3-diamine oxide; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C33H34Cl2N8O16
MOLECULAR WEIGHT: 869.57306
SMILES: C1=CC=C(C=C1)C[N+](CCC[N+](CCCl)(CCCl)[O-])(CC2=CC=CC=C2)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 93825-15-1
CAS Name: (3E)-N,N-dimethyl-3-[2-[(methylthio)methyl]-9-thioxanthenylidene]-1-propanamine; oxalic acid
OPENEYE Name: (3E)-N,N-dimethyl-3-[2-(methylsulfanylmethyl)thioxanthen-9-ylidene]propan-1-amine; oxalic acid
IUPAC Name: (3E)-N,N-dimethyl-3-[2-(methylsulfanylmethyl)thioxanthen-9-ylidene]propan-1-amine; oxalic acid
SYSTEMATIC NAME: (3E)-N,N-dimethyl-3-[2-(methylsulfanylmethyl)thioxanthen-9-ylidene]propan-1-amine; ethanedioic acid
MOLECULAR FORMULA: C22H25NO4S2
MOLECULAR WEIGHT: 431.5682
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)CSC.C(=O)(C(=O)O)O
Structure:
CAS RN: 91098-60-1
CAS Name: oxalic acid; N-[1-[4-(2-phenylethyl)-1-piperazinyl]propan-2-yl]-N-(4-propoxyphenyl)propanamide
OPENEYE Name: N-[1-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-N-(4-propoxyphenyl)propanamide; oxalic acid
IUPAC Name: oxalic acid; N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-N-(4-propoxyphenyl)propanamide
SYSTEMATIC NAME: ethanedioic acid; N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-N-(4-propoxyphenyl)propanamide
MOLECULAR FORMULA: C31H43N3O10
MOLECULAR WEIGHT: 617.68722
SMILES: CCCOC1=CC=C(C=C1)N(C(C)CN2CCN(CC2)CCC3=CC=CC=C3)C(=O)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 91098-62-3
CAS Name: N-(4-butoxyphenyl)-N-[1-[4-(2-phenylethyl)-1-piperazinyl]propan-2-yl]propanamide; oxalic acid
OPENEYE Name: N-(4-butoxyphenyl)-N-[1-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]propanamide; oxalic acid
IUPAC Name: N-(4-butoxyphenyl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide; oxalic acid
SYSTEMATIC NAME: N-(4-butoxyphenyl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide; ethanedioic acid
MOLECULAR FORMULA: C32H45N3O10
MOLECULAR WEIGHT: 631.7138
SMILES: CCCCOC1=CC=C(C=C1)N(C(C)CN2CCN(CC2)CCC3=CC=CC=C3)C(=O)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 91098-78-1
CAS Name: N-[1-[4-[2-(4-bromophenyl)ethyl]-1-piperazinyl]propan-2-yl]-N-(4-methoxyphenyl)propanamide; oxalic acid
OPENEYE Name: N-[2-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]-1-methyl-ethyl]-N-(4-methoxyphenyl)propanamide; oxalic acid
IUPAC Name: N-[1-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]propan-2-yl]-N-(4-methoxyphenyl)propanamide; oxalic acid
SYSTEMATIC NAME: N-[1-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]propan-2-yl]-N-(4-methoxyphenyl)propanamide; ethanedioic acid
MOLECULAR FORMULA: C29H38BrN3O10
MOLECULAR WEIGHT: 668.53012
SMILES: CCC(=O)N(C1=CC=C(C=C1)OC)C(C)CN2CCN(CC2)CCC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 91098-80-5
CAS Name: N-[1-[4-[2-(4-acetamidophenyl)ethyl]-1-piperazinyl]propan-2-yl]-N-(4-methoxyphenyl)propanamide; oxalic acid; hydrate
OPENEYE Name: N-[2-[4-[2-(4-acetamidophenyl)ethyl]piperazin-1-yl]-1-methyl-ethyl]-N-(4-methoxyphenyl)propanamide; oxalic acid; hydrate
IUPAC Name: N-[1-[4-[2-(4-acetamidophenyl)ethyl]piperazin-1-yl]propan-2-yl]-N-(4-methoxyphenyl)propanamide; oxalic acid; hydrate
SYSTEMATIC NAME: N-[1-[4-[2-(4-acetamidophenyl)ethyl]piperazin-1-yl]propan-2-yl]-N-(4-methoxyphenyl)propanamide; ethanedioic acid; hydrate
MOLECULAR FORMULA: C62H86N8O23
MOLECULAR WEIGHT: 1311.38604
SMILES: CCC(=O)N(C1=CC=C(C=C1)OC)C(C)CN2CCN(CC2)CCC3=CC=C(C=C3)NC(=O)C.CCC(=O)N(C1=CC=C(C=C1)OC)C(C)CN2CCN(CC2)CCC3=CC=C(C=C3)NC(=O)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O
Structure:
CAS RN: 97290-46-5
CAS Name: (2R)-2-acetamido-N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-mercaptopropanamide
OPENEYE Name: (2R)-2-acetamido-N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-sulfanyl-propanamide
IUPAC Name: (2R)-2-acetamido-N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-sulfanylpropanamide
SYSTEMATIC NAME: (2R)-2-acetamido-N-[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-sulfanyl-propanamide
MOLECULAR FORMULA: C19H27Br2N3O2S
MOLECULAR WEIGHT: 521.30958
SMILES: CC(=O)N[C@@H](CS)C(=O)NC1=C(C=C(C=C1CN(C)C2CCCCC2)Br)Br
Structure:
CAS RN: 97290-43-2
CAS Name: ethanethioic acid S-[(2R)-2-acetamido-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxopropyl] ester
OPENEYE Name: S-[(2R)-2-acetamido-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-propyl] ethanethioate
IUPAC Name: S-[(2R)-2-acetamido-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxopropyl] ethanethioate
SYSTEMATIC NAME: S-[(2R)-2-acetamido-3-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-3-oxidanylidene-propyl] ethanethioate
MOLECULAR FORMULA: C21H29Br2N3O3S
MOLECULAR WEIGHT: 563.34626
SMILES: CC(=O)N[C@@H](CSC(=O)C)C(=O)NC1=C(C=C(C=C1CN(C)C2CCCCC2)Br)Br
Structure:
CAS RN: 103365-70-4
CAS Name: (2S)-2-pyrrolidinecarboxylic acid [1-[(2S)-3-(1H-imidazol-5-yl)-2-[[[(4S)-1-methyl-2,6-dioxo-1,3-diazinan-4-yl]-oxomethyl]amino]-1-oxopropyl]-1-cyclohexa-2,4-dienyl]methyl ester hydrate hydrochloride
OPENEYE Name: [1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(4S)-1-methyl-2,6-dioxo-hexahydropyrimidine-4-carbonyl]amino]propanoyl]cyclohexa-2,4-dien-1-yl]methyl (2S)-pyrrolidine-2-carboxylate hydrate hydrochloride
IUPAC Name: [1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]propanoyl]cyclohexa-2,4-dien-1-yl]methyl (2S)-pyrrolidine-2-carboxylate hydrate hydrochloride
SYSTEMATIC NAME: [1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(4S)-1-methyl-2,6-bis(oxidanylidene)-1,3-diazinan-4-yl]carbonylamino]propanoyl]cyclohexa-2,4-dien-1-yl]methyl (2S)-pyrrolidine-2-carboxylate hydrate hydrochloride
MOLECULAR FORMULA: C24H33ClN6O7
MOLECULAR WEIGHT: 553.00782
SMILES: CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)C3(CC=CC=C3)COC(=O)[C@@H]4CCCN4.O.Cl
Structure:
CAS RN: 96409-04-0
CAS Name: (2S,4R)-1-[[2-chloroethyl(nitroso)amino]-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl (2S,4R)-1-[2-chloroethyl(nitroso)carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylate
IUPAC Name: benzyl (2S,4R)-1-[2-chloroethyl(nitroso)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (2S,4R)-1-[2-chloroethyl(nitroso)carbamoyl]-4-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C15H18ClN3O5
MOLECULAR WEIGHT: 355.77352
SMILES: C1[C@H](CN([C@@H]1C(=O)OCC2=CC=CC=C2)C(=O)N(CCCl)N=O)O
Structure:
CAS RN: 96409-03-9
CAS Name: (2S)-1-[[2-chloroethyl(nitroso)amino]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl (2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylate
IUPAC Name: benzyl (2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C15H18ClN3O4
MOLECULAR WEIGHT: 339.77412
SMILES: C1C[C@H](N(C1)C(=O)N(CCCl)N=O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 96409-05-1
CAS Name: (2S,4R)-1-[[2-chloroethyl(nitroso)amino]-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,4R)-1-[2-chloroethyl(nitroso)carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,4R)-1-[2-chloroethyl(nitroso)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4R)-1-[2-chloroethyl(nitroso)carbamoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C8H12ClN3O5
MOLECULAR WEIGHT: 265.65098
SMILES: C1[C@H](CN([C@@H]1C(=O)O)C(=O)N(CCCl)N=O)O
Structure:
CAS RN: 96478-59-0
CAS Name: 1-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-chloro-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-chloro-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-chloro-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-chloranyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C22H33ClO
MOLECULAR WEIGHT: 348.94982
SMILES: C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@@H]1C(=O)C)C)C)Cl
Structure:
CAS RN: 96367-83-8
CAS Name: 1-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-chloro-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-chloro-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-chloro-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-chloranyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C22H33ClO
MOLECULAR WEIGHT: 348.94982
SMILES: C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)C)C)C)Cl
Structure:
CAS RN: 95807-38-8
CAS Name: (3S,8S,9S,10R,13R,14S,16S,17R)-17-ethyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,16S,17R)-17-ethyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,16S,17R)-17-ethyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,16S,17R)-17-ethyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C22H36O
MOLECULAR WEIGHT: 316.52064
SMILES: CC[C@@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C
Structure:
CAS RN: 96006-01-8
CAS Name: (8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-chloro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-chloro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-chloro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,11R,12R,13S,14S,17S)-12-chloranyl-17-ethanoyl-10,13-dimethyl-11-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H29ClO3
MOLECULAR WEIGHT: 364.90616
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@H]([C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)Cl)C
Structure:
CAS RN: 102586-31-2
CAS Name: (Z)-2-butenedioic acid; (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
OPENEYE Name: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
MOLECULAR FORMULA: C26H41NO6
MOLECULAR WEIGHT: 463.60684
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)NC)C)CO)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 102586-30-1
CAS Name: 4,4,4-trifluoro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-(trifluoromethyl)butane-1,3-diol
OPENEYE Name: 4,4,4-trifluoro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-(trifluoromethyl)butane-1,3-diol
IUPAC Name: 4,4,4-trifluoro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-(trifluoromethyl)butane-1,3-diol
SYSTEMATIC NAME: 1-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)butane-1,3-diol
MOLECULAR FORMULA: C24H34F6O3
MOLECULAR WEIGHT: 484.515379
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(CC(C(F)(F)F)(C(F)(F)F)O)O)CC=C4[C@@]3(CCC(C4)O)C
Structure:
CAS RN: 66734-13-2
CAS Name: propanoic acid [2-[(7R,8S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(1-oxopropoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(7R,8S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate
IUPAC Name: [2-[(7R,8S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
SYSTEMATIC NAME: [2-[(7R,8S,10R,11S,13S,14S,16R,17R)-7-chloranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] propanoate
MOLECULAR FORMULA: C28H37ClO7
MOLECULAR WEIGHT: 521.04218
SMILES: CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3[C@H]2[C@@H](CC4=CC(=O)C=C[C@]34C)Cl)O)C)C)OC(=O)CC
Structure:
CAS RN: 12031-11-7
CAS Name: potassium oxido(dioxo)niobium hexadecahydrate
OPENEYE Name: potassium oxido(dioxo)niobium hexadecahydrate
IUPAC Name: potassium oxido(dioxo)niobium hexadecahydrate
SYSTEMATIC NAME: potassium oxidanidyl-bis(oxidanylidene)niobium hexadecahydrate
MOLECULAR FORMULA: H32KNbO19
MOLECULAR WEIGHT: 468.24736
SMILES: O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[O-][Nb](=O)=O.[K+]
Structure:
CAS RN: 55353-19-0
CAS Name: ethane-1,2-diol; 2-(2-hydroxyethylamino)ethanol; sulfuric acid dodecyl ester
OPENEYE Name: dodecyl hydrogen sulfate; ethylene glycol; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: dodecyl hydrogen sulfate; ethane-1,2-diol; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: dodecyl hydrogen sulfate; ethane-1,2-diol; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C18H43NO8S
MOLECULAR WEIGHT: 433.60092
SMILES: CCCCCCCCCCCCOS(=O)(=O)O.C(CO)NCCO.C(CO)O
Structure:
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