CAS RN: 102286-67-9
CAS Name: 3'-hydroxy-6'-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 3'-hydroxy-6'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 3'-hydroxy-6'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 3'-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6'-oxidanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C26H22O10
MOLECULAR WEIGHT: 494.44688
SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O
Structure:
CAS RN: 102271-18-1
CAS Name: N-[(2R,3R,4R,5S,6R)-4-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-2-methoxy-3-oxanyl]acetamide
OPENEYE Name: N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methoxy-5-oxidanyl-oxan-3-yl]ethanamide
MOLECULAR FORMULA: C21H37NO15
MOLECULAR WEIGHT: 543.51618
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OC)NC(=O)C)CO)O)O)O)O)O
Structure:
CAS RN: 102260-45-7
CAS Name: 1-[3-[2-[3-[(2,5-dioxo-3-sulfo-1-pyrrolidinyl)oxy]-3-oxopropyl]-3-$l^{1}-oxidanyl-4,4-dimethyl-2-oxazolidinyl]-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid
OPENEYE Name: 1-[3-[2-[3-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)oxy-3-oxo-propyl]-3-$l^{1}-oxidanyl-4,4-dimethyl-oxazolidin-2-yl]propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid
IUPAC Name: 1-[3-[2-[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxopropyl]-3-$l^{1}-oxidanyl-4,4-dimethyl-1,3-oxazolidin-2-yl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
SYSTEMATIC NAME: 1-[3-[2-[3-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]oxy-3-oxidanylidene-propyl]-3-$l^{1}-oxidanyl-4,4-dimethyl-1,3-oxazolidin-2-yl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid
MOLECULAR FORMULA: C19H24N3O16S2
MOLECULAR WEIGHT: 614.53436
SMILES: CC1(COC(N1[O])(CCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)CCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)O)C
Structure:
CAS RN: 102251-91-2
CAS Name: 3-chloro-N'-(3-ethylsulfonyl-1-oxopropyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
OPENEYE Name: 3-chloro-N'-(3-ethylsulfonylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
IUPAC Name: 3-chloro-N'-(3-ethylsulfonylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
SYSTEMATIC NAME: 3-chloranyl-N'-(3-ethylsulfonylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
MOLECULAR FORMULA: C19H20ClN3O5S
MOLECULAR WEIGHT: 437.8972
SMILES: CCS(=O)(=O)CCC(=O)NNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl
Structure:
CAS RN: 102234-07-1
CAS Name: 2-[2-(1-aziridinyl)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione
OPENEYE Name: 2-[2-(aziridin-1-yl)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione
IUPAC Name: 2-[2-(aziridin-1-yl)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione
SYSTEMATIC NAME: 2-[2-(aziridin-1-yl)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione
MOLECULAR FORMULA: C12H19N3O2
MOLECULAR WEIGHT: 237.29816
SMILES: C1CCC2(CC1)C(=O)N(C(=O)N2)CCN3CC3
Structure:
CAS RN: 102203-15-6
CAS Name: N'-[2-(phenylmethylthio)ethyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester
OPENEYE Name: 3-(2-benzylsulfanylethyl)-2-[3-(1H-imidazol-5-yl)propyl]isothiourea
IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-(2-benzylsulfanylethyl)carbamimidothioate
SYSTEMATIC NAME: 3-(1H-imidazol-5-yl)propyl N'-[2-(phenylmethylsulfanyl)ethyl]carbamimidothioate
MOLECULAR FORMULA: C16H22N4S2
MOLECULAR WEIGHT: 334.50268
SMILES: C1=CC=C(C=C1)CSCCN=C(N)SCCCC2=CN=CN2
Structure:
CAS RN: 102202-89-1
CAS Name: (2S)-6-[[(2R)-4-amino-2-hydroxybutyl]amino]-2-[(4-amino-1-oxobutyl)amino]hexanoic acid
OPENEYE Name: (2S)-2-(4-aminobutanoylamino)-6-[[(2R)-4-amino-2-hydroxy-butyl]amino]hexanoic acid
IUPAC Name: (2S)-2-(4-aminobutanoylamino)-6-[[(2R)-4-amino-2-hydroxybutyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-2-(4-azanylbutanoylamino)-6-[[(2R)-4-azanyl-2-oxidanyl-butyl]amino]hexanoic acid
MOLECULAR FORMULA: C14H30N4O4
MOLECULAR WEIGHT: 318.4124
SMILES: C(CCNC[C@@H](CCN)O)C[C@@H](C(=O)O)NC(=O)CCCN
Structure:
CAS RN: 102200-24-8
CAS Name: 2-(4-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one hydrochloride
OPENEYE Name: 2-(4-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one hydrochloride
IUPAC Name: 2-(4-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one hydrochloride
SYSTEMATIC NAME: 2-(4-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one hydrochloride
MOLECULAR FORMULA: C16H15Cl2N3O
MOLECULAR WEIGHT: 336.2158
SMILES: C1CCC2=NC=C3C(=C2C1)NN(C3=O)C4=CC=C(C=C4)Cl.Cl
Structure:
CAS RN: 102185-28-4
CAS Name: (4-aminophenyl) 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: (4-aminophenyl) 2-(trimethylammonio)ethyl phosphate
IUPAC Name: (4-aminophenyl) 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: (4-aminophenyl) 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C11H19N2O4P
MOLECULAR WEIGHT: 274.253321
SMILES: C[N+](C)(C)CCOP(=O)([O-])OC1=CC=C(C=C1)N
Structure:
CAS RN: 102146-01-0
CAS Name: (2S)-5-amino-2-[[[(2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-6,9,12,15,18-pentaoxo-13,16-bis(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanoic
OPENEYE Name: (2S)-5-amino-2-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
IUPAC Name: (2S)-5-amino-2-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[[(2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-6,9,12,15,18-pentakis(oxidanylidene)-13,16-bis(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]pyrrol
MOLECULAR FORMULA: C43H59N11O11S2
MOLECULAR WEIGHT: 970.12566
SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=CC=C4)N)C(=O)N[C@@H](CCCN)C(=O)O
Structure:
CAS RN: 102145-23-3
CAS Name: 1-(5-iodanyl-2,4-dimethoxyphenyl)-N,N-dimethyl-2-propanamine
OPENEYE Name: 1-(5-iodanyl-2,4-dimethoxy-phenyl)-N,N-dimethyl-propan-2-amine
IUPAC Name: 1-(5-iodanyl-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine
SYSTEMATIC NAME: 1-(5-iodanyl-2,4-dimethoxy-phenyl)-N,N-dimethyl-propan-2-amine
MOLECULAR FORMULA: C13H20INO2
MOLECULAR WEIGHT: 344.210992
SMILES: CC(CC1=CC(=C(C=C1OC)OC)[122I])N(C)C
Structure:
CAS RN: 102145-22-2
CAS Name: 1-(2,4-dimethoxyphenyl)-N,N-dimethyl-2-propanamine
OPENEYE Name: 1-(2,4-dimethoxyphenyl)-N,N-dimethyl-propan-2-amine
IUPAC Name: 1-(2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine
SYSTEMATIC NAME: 1-(2,4-dimethoxyphenyl)-N,N-dimethyl-propan-2-amine
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: CC(CC1=C(C=C(C=C1)OC)OC)N(C)C
Structure:
CAS RN: 102130-93-8
CAS Name: (2S,3S)-2-amino-4-fluoro-3-hydroxybutanoic acid
OPENEYE Name: (2S,3S)-2-amino-4-fluoro-3-hydroxy-butanoic acid
IUPAC Name: (2S,3S)-2-amino-4-fluoro-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3S)-2-azanyl-4-fluoranyl-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C4H8FNO3
MOLECULAR WEIGHT: 137.109623
SMILES: C([C@H]([C@@H](C(=O)O)N)O)F
Structure:
CAS RN: 102129-66-8
CAS Name: (2S)-2-amino-N-[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropyl]propanamide
OPENEYE Name: (2S)-2-amino-N-[(2S)-2-[[(1S)-1-benzyl-3-chloro-2-oxo-propyl]amino]propanoyl]propanamide
IUPAC Name: (2S)-2-amino-N-[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]propanoyl]propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(2S)-2-[[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]amino]propanoyl]propanamide
MOLECULAR FORMULA: C16H22ClN3O3
MOLECULAR WEIGHT: 339.81718
SMILES: C[C@@H](C(=O)NC(=O)[C@H](C)N[C@@H](CC1=CC=CC=C1)C(=O)CCl)N
Structure:
CAS RN: 102121-00-6
CAS Name: 6-[propyl-[2-(3-thiophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
OPENEYE Name: 2-[propyl-[2-(3-thienyl)ethyl]amino]tetralin-5-ol
IUPAC Name: 6-[propyl(2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SYSTEMATIC NAME: 6-[propyl(2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
MOLECULAR FORMULA: C19H25NOS
MOLECULAR WEIGHT: 315.4729
SMILES: CCCN(CCC1=CSC=C1)C2CCC3=C(C2)C=CC=C3O
Structure:
CAS RN: 102072-98-0
CAS Name: 4-(3-hydroxy-6-oxo-9-xanthenyl)-N1,N3-bis(2-mercaptoethyl)benzene-1,3-dicarboxamide
OPENEYE Name: 4-(3-hydroxy-6-oxo-xanthen-9-yl)-N1,N3-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
IUPAC Name: 4-(3-hydroxy-6-oxoxanthen-9-yl)-1-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
SYSTEMATIC NAME: 4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-N1,N3-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C25H22N2O5S2
MOLECULAR WEIGHT: 494.58258
SMILES: C1=CC(=C(C=C1C(=O)NCCS)C(=O)NCCS)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O
Structure:
CAS RN: 50608-63-4
CAS Name: 6-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one hydrochloride
OPENEYE Name: 6-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one hydrochloride
IUPAC Name: 6-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one hydrochloride
SYSTEMATIC NAME: 6-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one hydrochloride
MOLECULAR FORMULA: C11H12ClN3O
MOLECULAR WEIGHT: 237.68548
SMILES: CC1=C2CN3CC(=O)N=C3NC2=CC=C1.Cl
Structure:
CAS RN: 5219-00-1
CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzene-1,2-diol
OPENEYE Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol
IUPAC Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol
MOLECULAR FORMULA: C15H18N4O2
MOLECULAR WEIGHT: 286.32902
SMILES: C1CN(CCN1CC2=CC(=C(C=C2)O)O)C3=NC=CC=N3
Structure:
CAS RN: 52185-94-1
CAS Name: N-(3,3-diphenylpropyl)-N'-(1-phenylpropan-2-yl)propane-1,3-diamine dihydrochloride
OPENEYE Name: N-(3,3-diphenylpropyl)-N'-(1-methyl-2-phenyl-ethyl)propane-1,3-diamine dihydrochloride
IUPAC Name: N-(3,3-diphenylpropyl)-N'-(1-phenylpropan-2-yl)propane-1,3-diamine dihydrochloride
SYSTEMATIC NAME: N-(3,3-diphenylpropyl)-N'-(1-phenylpropan-2-yl)propane-1,3-diamine dihydrochloride
MOLECULAR FORMULA: C27H36Cl2N2
MOLECULAR WEIGHT: 459.49414
SMILES: CC(CC1=CC=CC=C1)NCCCNCCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 50486-57-2
CAS Name: N,N'-dimethyl-1-sulfonylmethanediamine
OPENEYE Name: N,N'-dimethyl-1-sulfonyl-methanediamine
IUPAC Name: N,N'-dimethyl-1-sulfonylmethanediamine
SYSTEMATIC NAME: N,N'-dimethyl-1-sulfonyl-methanediamine
MOLECULAR FORMULA: C3H8N2O2S
MOLECULAR WEIGHT: 136.17282
SMILES: CNC(=S(=O)=O)NC
Structure:
CAS RN: 52099-47-5
CAS Name: 3,4-dibromo-6-(bromomethyl)-3,4-dihydro-2H-1-benzopyran-2-one
OPENEYE Name: 3,4-dibromo-6-(bromomethyl)chroman-2-one
IUPAC Name: 3,4-dibromo-6-(bromomethyl)-3,4-dihydrochromen-2-one
SYSTEMATIC NAME: 3,4-bis(bromanyl)-6-(bromomethyl)-3,4-dihydrochromen-2-one
MOLECULAR FORMULA: C10H7Br3O2
MOLECULAR WEIGHT: 398.87338
SMILES: C1=CC2=C(C=C1CBr)C(C(C(=O)O2)Br)Br
Structure:
CAS RN: 180847-28-3
CAS Name: 4-[[1-(3-fluoropropyl)-4-piperidinyl]methoxy]benzonitrile
OPENEYE Name: 4-[[1-(3-fluoropropyl)-4-piperidyl]methoxy]benzonitrile
IUPAC Name: 4-[[1-(3-fluoropropyl)piperidin-4-yl]methoxy]benzonitrile
SYSTEMATIC NAME: 4-[[1-(3-fluoranylpropyl)piperidin-4-yl]methoxy]benzenecarbonitrile
MOLECULAR FORMULA: C16H21FN2O
MOLECULAR WEIGHT: 276.349143
SMILES: C1CN(CCC1COC2=CC=C(C=C2)C#N)CCCF
Structure:
CAS RN: 179999-39-4
CAS Name: 3,5-dichloro-4-[(4-chlorophenyl)-oxomethyl]benzoic acid
OPENEYE Name: 3,5-dichloro-4-(4-chlorobenzoyl)benzoic acid
IUPAC Name: 3,5-dichloro-4-(4-chlorobenzoyl)benzoic acid
SYSTEMATIC NAME: 3,5-bis(chloranyl)-4-(4-chlorophenyl)carbonyl-benzoic acid
MOLECULAR FORMULA: C14H7Cl3O3
MOLECULAR WEIGHT: 329.56258
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)C(=O)O)Cl)Cl
Structure:
CAS RN: 179912-83-5
CAS Name: 2-[1-(1-oxo-3,3-diphenylpropyl)-4-piperidinyl]-2-(3-pyridinyl)acetonitrile
OPENEYE Name: 2-[1-(3,3-diphenylpropanoyl)-4-piperidyl]-2-(3-pyridyl)acetonitrile
IUPAC Name: 2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile
SYSTEMATIC NAME: 2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]-2-pyridin-3-yl-ethanenitrile
MOLECULAR FORMULA: C27H27N3O
MOLECULAR WEIGHT: 409.52278
SMILES: C1CN(CCC1C(C#N)C2=CN=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 178273-73-9
CAS Name: 1-(4-azidophenyl)-2-fluoranylethanone
OPENEYE Name: 1-(4-azidophenyl)-2-fluoranyl-ethanone
IUPAC Name: 1-(4-azidophenyl)-2-fluoranylethanone
SYSTEMATIC NAME: 1-(4-azidophenyl)-2-fluoranyl-ethanone
MOLECULAR FORMULA: C8H6FN3O
MOLECULAR WEIGHT: 178.153678
SMILES: C1=CC(=CC=C1C(=O)C[18F])N=[N+]=[N-]
Structure:
CAS RN: 178181-33-4
CAS Name: 2-fluoropropanoic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) 2-fluoropropanoate
IUPAC Name: (4-nitrophenyl) 2-fluoropropanoate
SYSTEMATIC NAME: (4-nitrophenyl) 2-fluoranylpropanoate
MOLECULAR FORMULA: C9H8FNO4
MOLECULAR WEIGHT: 213.162523
SMILES: CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])F
Structure:
CAS RN: 177034-98-9
CAS Name: N-[4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl]acetamide
OPENEYE Name: N-[4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl]acetamide
IUPAC Name: N-[4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl]ethanamide
MOLECULAR FORMULA: C20H21N3O3
MOLECULAR WEIGHT: 351.39904
SMILES: CC1=NN=C(C2=CC(=C(C=C2C1)OC)OC)C3=CC=C(C=C3)NC(=O)C
Structure:
CAS RN: 176587-88-5
CAS Name: 2-(1-fluoropropan-2-ylamino)-1-phenyl-1-propanol
OPENEYE Name: 2-[(2-fluoro-1-methyl-ethyl)amino]-1-phenyl-propan-1-ol
IUPAC Name: 2-(1-fluoropropan-2-ylamino)-1-phenylpropan-1-ol
SYSTEMATIC NAME: 2-(1-fluoranylpropan-2-ylamino)-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C12H18FNO
MOLECULAR WEIGHT: 211.275823
SMILES: CC(CF)NC(C)C(C1=CC=CC=C1)O
Structure:
CAS RN: 174575-17-8
CAS Name: (2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
MOLECULAR FORMULA: C16H17ClNO5P
MOLECULAR WEIGHT: 369.736641
SMILES: C1=CC=C(C(=C1)C2=CC(=CC(=C2)CP(=O)(O)O)C[C@@H](C(=O)O)N)Cl
Structure:
CAS RN: 172854-55-6
CAS Name: 3-[3-(dimethylamino)propyl]-4-hydroxy-N-(4-pyridin-4-ylphenyl)benzamide hydrochloride
OPENEYE Name: 3-[3-(dimethylamino)propyl]-4-hydroxy-N-[4-(4-pyridyl)phenyl]benzamide hydrochloride
IUPAC Name: 3-[3-(dimethylamino)propyl]-4-hydroxy-N-(4-pyridin-4-ylphenyl)benzamide hydrochloride
SYSTEMATIC NAME: 3-[3-(dimethylamino)propyl]-4-oxidanyl-N-(4-pyridin-4-ylphenyl)benzamide hydrochloride
MOLECULAR FORMULA: C23H26ClN3O2
MOLECULAR WEIGHT: 411.92444
SMILES: CN(C)CCCC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=NC=C3)O.Cl
Structure:
CAS RN: 172705-89-4
CAS Name: 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
OPENEYE Name: 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
IUPAC Name: 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
SYSTEMATIC NAME: 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
MOLECULAR FORMULA: C29H30N2O2
MOLECULAR WEIGHT: 438.5607
SMILES: CC1(CCC(C2=C1C=C3C(=C2)N(C4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C
Structure:
CAS RN: 171031-50-8
CAS Name: 3-[(2S)-2-amino-2-carboxypropyl]benzoic acid
OPENEYE Name: 3-[(2S)-2-amino-2-carboxy-propyl]benzoic acid
IUPAC Name: 3-[(2S)-2-amino-2-carboxypropyl]benzoic acid
SYSTEMATIC NAME: 3-[(2S)-2-azanyl-2-methyl-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C[C@](CC1=CC=CC(=C1)C(=O)O)(C(=O)O)N
Structure:
CAS RN: 170900-30-8
CAS Name: 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)-2-oxolanyl]undecyl]-3-(2-oxopropyl)-2-oxolanone
OPENEYE Name: 3-acetonyl-5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]undecyl]tetrahydrofuran-2-one
IUPAC Name: 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
SYSTEMATIC NAME: 5-[6,11-bis(oxidanyl)-11-[5-(1-oxidanyltridecyl)oxolan-2-yl]undecyl]-3-(2-oxidanylidenepropyl)oxolan-2-one
MOLECULAR FORMULA: C35H64O7
MOLECULAR WEIGHT: 596.87846
SMILES: CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O
Structure:
CAS RN: 102059-09-6
CAS Name: 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]-4-methoxyphenyl]-3-phenyl-1-propanone
OPENEYE Name: 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]-4-methoxy-phenyl]-3-phenyl-propan-1-one
IUPAC Name: 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]-4-methoxyphenyl]-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[4-methoxy-5-oxidanyl-2-[2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C22H29NO5
MOLECULAR WEIGHT: 387.46936
SMILES: CCCNCC(COC1=CC(=C(C=C1C(=O)CCC2=CC=CC=C2)O)OC)O
Structure:
CAS RN: 102053-40-7
CAS Name: (8R,9S,10S,13S,14S)-10-(azidomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8R,9S,10S,13S,14S)-10-(azidomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8R,9S,10S,13S,14S)-10-(azidomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10S,13S,14S)-10-(azidomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C19H25N3O2
MOLECULAR WEIGHT: 327.4207
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CN=[N+]=[N-]
Structure:
CAS RN: 170858-33-0
CAS Name: 4-[4-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1-piperazinyl]benzenesulfonamide
OPENEYE Name: 4-[4-(2-isochroman-1-ylethyl)piperazin-1-yl]benzenesulfonamide
IUPAC Name: 4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide
MOLECULAR FORMULA: C21H27N3O3S
MOLECULAR WEIGHT: 401.52238
SMILES: C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N
Structure:
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