CAS RN: 120342-38-3
CAS Name: 6-bromo-1-[2-hydroxy-3-(4-morpholinyl)propyl]-5-methoxy-2-methyl-3-indolecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 6-bromo-1-(2-hydroxy-3-morpholino-propyl)-5-methoxy-2-methyl-indole-3-carboxylate hydrochloride
IUPAC Name: ethyl 6-bromo-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methoxy-2-methylindole-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 6-bromanyl-5-methoxy-2-methyl-1-(3-morpholin-4-yl-2-oxidanyl-propyl)indole-3-carboxylate hydrochloride
MOLECULAR FORMULA: C20H28BrClN2O5
MOLECULAR WEIGHT: 491.80372
SMILES: CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(CN3CCOCC3)O)C.Cl
Structure:
CAS RN: 5262-31-7
CAS Name: 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-2-pyrrolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-pyrrole-2-carboxylate
IUPAC Name: ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methylpyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-1-(4-bromophenyl)-4-cyano-5-methyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C15H14BrN3O2
MOLECULAR WEIGHT: 348.19456
SMILES: CCOC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)Br)C)C#N)N
Structure:
CAS RN: 5262-25-9
CAS Name: 1,4-bis[(diethoxyphosphinothioylthio)methyl]piperazine-2,5-dione
OPENEYE Name: 1,4-bis(diethoxyphosphinothioylsulfanylmethyl)piperazine-2,5-dione
IUPAC Name: 1,4-bis(diethoxyphosphinothioylsulfanylmethyl)piperazine-2,5-dione
SYSTEMATIC NAME: 1,4-bis(diethoxyphosphinothioylsulfanylmethyl)piperazine-2,5-dione
MOLECULAR FORMULA: C14H28N2O6P2S4
MOLECULAR WEIGHT: 510.589442
SMILES: CCOP(=S)(OCC)SCN1CC(=O)N(CC1=O)CSP(=S)(OCC)OCC
Structure:
CAS RN: 5262-21-5
CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-(3-chlorophenyl)piperazine
OPENEYE Name: 1-[(4-bromo-2-thienyl)methyl]-4-(3-chlorophenyl)piperazine
IUPAC Name: 1-[(4-bromothiophen-2-yl)methyl]-4-(3-chlorophenyl)piperazine
SYSTEMATIC NAME: 1-[(4-bromanylthiophen-2-yl)methyl]-4-(3-chlorophenyl)piperazine
MOLECULAR FORMULA: C15H16BrClN2S
MOLECULAR WEIGHT: 371.72294
SMILES: C1CN(CCN1CC2=CC(=CS2)Br)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 5260-83-3
CAS Name: 2-methoxy-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenol
OPENEYE Name: 2-methoxy-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenol
IUPAC Name: 2-methoxy-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
SYSTEMATIC NAME: 2-methoxy-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
MOLECULAR FORMULA: C17H21N3O2
MOLECULAR WEIGHT: 299.36754
SMILES: COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=N3)O
Structure:
CAS RN: 5260-25-3
CAS Name: 4-(4-nitrophenyl)-1-piperazinecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
IUPAC Name: methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
SYSTEMATIC NAME: methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C12H15N3O4
MOLECULAR WEIGHT: 265.2652
SMILES: COC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5259-99-4
CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-9-ethylcarbazole
OPENEYE Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-9-ethyl-carbazole
IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-9-ethylcarbazole
SYSTEMATIC NAME: 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-9-ethyl-carbazole
MOLECULAR FORMULA: C25H26ClN3
MOLECULAR WEIGHT: 403.94704
SMILES: CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)C5=CC=CC=C51
Structure:
CAS RN: 5258-21-9
CAS Name: (3,4-dimethoxyphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone
OPENEYE Name: (3,4-dimethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
IUPAC Name: (3,4-dimethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: (3,4-dimethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C19H21N3O5
MOLECULAR WEIGHT: 371.38714
SMILES: COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC
Structure:
CAS RN: 5256-31-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20N4O4
MOLECULAR WEIGHT: 320.3437
SMILES: C1CC2C(C1)([N+](=C3C2(C4=NON=C4CC3)O)[O-])N5CCOCC5
Structure:
CAS RN: 5255-64-1
CAS Name: 1,3-benzodioxol-5-yl(diphenylphosphoryl)methanol
OPENEYE Name: 1,3-benzodioxol-5-yl(diphenylphosphoryl)methanol
IUPAC Name: 1,3-benzodioxol-5-yl(diphenylphosphoryl)methanol
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl(diphenylphosphoryl)methanol
MOLECULAR FORMULA: C20H17O4P
MOLECULAR WEIGHT: 352.320341
SMILES: C1OC2=C(O1)C=C(C=C2)C(O)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 171261-18-0
CAS Name: N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
OPENEYE Name: N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
IUPAC Name: N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
MOLECULAR FORMULA: C19H27ClN2O
MOLECULAR WEIGHT: 334.88348
SMILES: CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC=CC=C3.Cl
Structure:
CAS RN: 171261-20-4
CAS Name: N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
OPENEYE Name: N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
IUPAC Name: N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-4-chloranyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
MOLECULAR FORMULA: C19H26Cl2N2O
MOLECULAR WEIGHT: 369.32854
SMILES: CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC=C(C=C3)Cl.Cl
Structure:
CAS RN: 118989-88-1
CAS Name: 1-(11-benzo[b][1]benzazepinyl)-2-(4-methyl-1-piperazinyl)ethanone dihydrochloride
OPENEYE Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride
IUPAC Name: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride
SYSTEMATIC NAME: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride
MOLECULAR FORMULA: C21H25Cl2N3O
MOLECULAR WEIGHT: 406.3487
SMILES: CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42.Cl.Cl
Structure:
CAS RN: 101438-17-9
CAS Name: 8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
OPENEYE Name: 8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
IUPAC Name: 8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SYSTEMATIC NAME: 8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
MOLECULAR FORMULA: C16H24N2
MOLECULAR WEIGHT: 244.37516
SMILES: CN1C2CCC1CC(C2)NCCC3=CC=CC=C3
Structure:
CAS RN: 87168-46-5
CAS Name: 3-(1-piperidinyl)propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester dihydrochloride
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(1-piperidyl)propanoate dihydrochloride
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate dihydrochloride
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate dihydrochloride
MOLECULAR FORMULA: C16H30Cl2N2O2
MOLECULAR WEIGHT: 353.3276
SMILES: CN1C2CCC1CC(C2)OC(=O)CCN3CCCCC3.Cl.Cl
Structure:
CAS RN: 87168-47-6
CAS Name: 3-(1-piperidinyl)propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester dihydrochloride
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(1-piperidyl)propanoate dihydrochloride
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate dihydrochloride
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate dihydrochloride
MOLECULAR FORMULA: C16H30Cl2N2O2
MOLECULAR WEIGHT: 353.3276
SMILES: CN1C2CCC1CC(C2)OC(=O)CCN3CCCCC3.Cl.Cl
Structure:
CAS RN: 67602-72-6
CAS Name: disodium 7-amino-6-sulfonaphthalene-1,3-disulfonate
OPENEYE Name: disodium 7-amino-6-sulfo-naphthalene-1,3-disulfonate
IUPAC Name: disodium 7-amino-6-sulfonaphthalene-1,3-disulfonate
SYSTEMATIC NAME: disodium 7-azanyl-6-sulfo-naphthalene-1,3-disulfonate
MOLECULAR FORMULA: C10H7NNa2O9S3
MOLECULAR WEIGHT: 427.33842
SMILES: C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 5252-64-2
CAS Name: N-(4-methoxy-2-nitrophenyl)-2-(pyridin-4-ylthio)acetamide
OPENEYE Name: N-(4-methoxy-2-nitro-phenyl)-2-(4-pyridylsulfanyl)acetamide
IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-pyridin-4-ylsulfanylacetamide
SYSTEMATIC NAME: N-(4-methoxy-2-nitro-phenyl)-2-pyridin-4-ylsulfanyl-ethanamide
MOLECULAR FORMULA: C14H13N3O4S
MOLECULAR WEIGHT: 319.33572
SMILES: COC1=CC(=C(C=C1)NC(=O)CSC2=CC=NC=C2)[N+](=O)[O-]
Structure:
CAS RN: 5251-80-9
CAS Name: 6-ethyl-4-(1-piperidinyl)thieno[2,3-d]pyrimidine hydrochloride
OPENEYE Name: 6-ethyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine hydrochloride
IUPAC Name: 6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine hydrochloride
SYSTEMATIC NAME: 6-ethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine hydrochloride
MOLECULAR FORMULA: C13H18ClN3S
MOLECULAR WEIGHT: 283.82012
SMILES: CCC1=CC2=C(N=CN=C2S1)N3CCCCC3.Cl
Structure:
CAS RN: 5249-52-5
CAS Name: N-(2-chlorophenyl)-4-(1,3-dioxo-2-isoindolyl)benzamide
OPENEYE Name: N-(2-chlorophenyl)-4-(1,3-dioxoisoindolin-2-yl)benzamide
IUPAC Name: N-(2-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SYSTEMATIC NAME: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-chlorophenyl)benzamide
MOLECULAR FORMULA: C21H13ClN2O3
MOLECULAR WEIGHT: 376.79252
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl
Structure:
CAS RN: 5249-37-6
CAS Name: 1,4-dihydroxy-2-phenoxyanthracene-9,10-dione
OPENEYE Name: 1,4-dihydroxy-2-phenoxy-anthracene-9,10-dione
IUPAC Name: 1,4-dihydroxy-2-phenoxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(oxidanyl)-2-phenoxy-anthracene-9,10-dione
MOLECULAR FORMULA: C20H12O5
MOLECULAR WEIGHT: 332.30628
SMILES: C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 5246-37-7
CAS Name: 2,4-dichloro-N-(4-methyl-2-nitrophenyl)benzamide
OPENEYE Name: 2,4-dichloro-N-(4-methyl-2-nitro-phenyl)benzamide
IUPAC Name: 2,4-dichloro-N-(4-methyl-2-nitrophenyl)benzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-(4-methyl-2-nitro-phenyl)benzamide
MOLECULAR FORMULA: C14H10Cl2N2O3
MOLECULAR WEIGHT: 325.1468
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 5246-13-9
CAS Name: 5-bromo-N-(2-nitrophenyl)-2-furancarboxamide
OPENEYE Name: 5-bromo-N-(2-nitrophenyl)furan-2-carboxamide
IUPAC Name: 5-bromo-N-(2-nitrophenyl)furan-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-(2-nitrophenyl)furan-2-carboxamide
MOLECULAR FORMULA: C11H7BrN2O4
MOLECULAR WEIGHT: 311.08828
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)Br)[N+](=O)[O-]
Structure:
CAS RN: 5245-72-7
CAS Name: N-[4-nitro-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-thiophenecarboxamide
OPENEYE Name: N-[4-nitro-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
IUPAC Name: N-[4-nitro-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[4-nitro-3-(thiophen-2-ylcarbonylamino)phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C16H11N3O4S2
MOLECULAR WEIGHT: 373.40624
SMILES: C1=CSC(=C1)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3
Structure:
CAS RN: 5245-43-2
CAS Name: 2-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[(5-chloranylthiophen-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C17H18ClNO3S2
MOLECULAR WEIGHT: 383.91272
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(S3)Cl
Structure:
CAS RN: 5244-80-4
CAS Name: 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexyl ester
OPENEYE Name: cyclohexyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: cyclohexyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: cyclohexyl 4-(4-ethoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OC3CCCCC3
Structure:
CAS RN: 77519-55-2
CAS Name: 2-oxo-4-phenyl-3-pyrrolidinecarboxylic acid
OPENEYE Name: 2-oxo-4-phenyl-pyrrolidine-3-carboxylic acid
IUPAC Name: 2-oxo-4-phenylpyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 2-oxidanylidene-4-phenyl-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: C1C(C(C(=O)N1)C(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 136547-40-5
CAS Name: N,N-diethyl-3-oxo-4-oxaspiro[4.5]decane-1-carboxamide
OPENEYE Name: N,N-diethyl-3-oxo-4-oxaspiro[4.5]decane-1-carboxamide
IUPAC Name: N,N-diethyl-3-oxo-4-oxaspiro[4.5]decane-1-carboxamide
SYSTEMATIC NAME: N,N-diethyl-3-oxidanylidene-4-oxaspiro[4.5]decane-1-carboxamide
MOLECULAR FORMULA: C14H23NO3
MOLECULAR WEIGHT: 253.33732
SMILES: CCN(CC)C(=O)C1CC(=O)OC12CCCCC2
Structure:
CAS RN: 136547-41-6
CAS Name: 1-[4-morpholinyl(oxo)methyl]-4-oxaspiro[4.5]decan-3-one
OPENEYE Name: 1-(morpholine-4-carbonyl)-4-oxaspiro[4.5]decan-3-one
IUPAC Name: 1-(morpholine-4-carbonyl)-4-oxaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 1-morpholin-4-ylcarbonyl-4-oxaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C14H21NO4
MOLECULAR WEIGHT: 267.32084
SMILES: C1CCC2(CC1)C(CC(=O)O2)C(=O)N3CCOCC3
Structure:
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