Product OPENEYE NAME: 3-(1,5-dimethylpyrazol-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
CAS Name: 3-(1,5-dimethyl-3-pyrazolyl)-4-phenyl-1H-1,2,4-triazole-5-thione
IUPAC NAME: 3-(1,5-dimethylpyrazol-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(1,5-dimethylpyrazol-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H13N5S
MOLECULAR WEIGHT: 271.34082
SMILES: CC1=CC(=NN1C)C2=NNC(=S)N2C3=CC=CC=C3
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Product OPENEYE NAME: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]benzamide
CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide
IUPAC NAME: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide
SYSTEMATIC NAME: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]benzamide
MOLECULAR FORMULA: C27H25N5O6
MOLECULAR WEIGHT: 515.5173
SMILES: CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C
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Product OPENEYE NAME: [4-[[(3-ethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[(3-ethylanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester
IUPAC NAME: [4-[[(3-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: [4-[[(3-ethylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C26H27F3N2O4S
MOLECULAR WEIGHT: 520.56379
SMILES: CCC1=CC(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(C)C
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Product OPENEYE NAME: N-(4-fluoro-3-nitro-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]acetamide
IUPAC NAME: N-(4-fluoro-3-nitrophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(4-fluoranyl-3-nitro-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C18H18F2N4O3
MOLECULAR WEIGHT: 376.357326
SMILES: C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CC=C(C=C3)F
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Product OPENEYE NAME: [2-methoxy-4-[[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazono]methyl]phenyl] 4-butoxybenzoate
CAS Name: 4-butoxybenzoic acid [2-methoxy-4-[[[2-[[(4-methoxyphenyl)-oxomethyl]amino]-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
SYSTEMATIC NAME: [2-methoxy-4-[[2-[(4-methoxyphenyl)carbonylamino]ethanoylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate
MOLECULAR FORMULA: C29H31N3O7
MOLECULAR WEIGHT: 533.57234
SMILES: CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)CNC(=O)C3=CC=C(C=C3)OC)OC
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Product OPENEYE NAME: [4-[[[2-(4-ethoxyanilino)-2-oxo-acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-methylbenzoate
CAS Name: 4-methylbenzoic acid [4-[[[2-(4-ethoxyanilino)-1,2-dioxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester
IUPAC NAME: [4-[[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
SYSTEMATIC NAME: [4-[[[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzoate
MOLECULAR FORMULA: C26H25N3O6
MOLECULAR WEIGHT: 475.4932
SMILES: CCOC1=CC=C(C=C1)NC(=O)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)OC
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Product OPENEYE NAME: 4-butoxy-N-[2-[2-[(3-hydroxyphenyl)methylene]hydrazino]-2-oxo-ethyl]benzamide
CAS Name: 4-butoxy-N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
IUPAC NAME: 4-butoxy-N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SYSTEMATIC NAME: 4-butoxy-N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC(=CC=C2)O
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Product OPENEYE NAME: 1-(4-cyclohexylphenyl)-3-(3,4-dichloroanilino)propan-1-one
CAS Name: 1-(4-cyclohexylphenyl)-3-(3,4-dichloroanilino)-1-propanone
IUPAC NAME: 1-(4-cyclohexylphenyl)-3-(3,4-dichloroanilino)propan-1-one
SYSTEMATIC NAME: 1-(4-cyclohexylphenyl)-3-[(3,4-dichlorophenyl)amino]propan-1-one
MOLECULAR FORMULA: C21H23Cl2NO
MOLECULAR WEIGHT: 376.31942
SMILES: C1CCC(CC1)C2=CC=C(C=C2)C(=O)CCNC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C30H48O4
MOLECULAR WEIGHT: 472.69972
SMILES: CC1=C(C2(C3CCC4C(CCC3C1(C2(OC)OC)C)C5(C(=C(C4(C5(OC)OC)C)C)C)C)C)C
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Product OPENEYE NAME: (17-acetoxy-10,13-dimethyl-11-oxo-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
CAS Name: acetic acid (17-acetyloxy-10,13-dimethyl-11-oxo-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) ester
IUPAC NAME: (17-acetyloxy-10,13-dimethyl-11-oxo-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
SYSTEMATIC NAME: (17-acetyloxy-10,13-dimethyl-11-oxidanylidene-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) ethanoate
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: CC(=O)OC1CCC2(C3C(CC=C2C1)C4CCC(C4(CC3=O)C)OC(=O)C)C
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Product OPENEYE NAME: methyl 3-acetoxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate
CAS Name: 3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester
IUPAC NAME: methyl 3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate
SYSTEMATIC NAME: methyl 3-acetyloxy-10,13-dimethyl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CC(=O)C4(C3CCC4C(=O)OC)C)C
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Product OPENEYE NAME: 4-(2-hydroxyphenyl)butanoic acid
CAS Name: 4-(2-hydroxyphenyl)butanoic acid
IUPAC NAME: 4-(2-hydroxyphenyl)butanoic acid
SYSTEMATIC NAME: 4-(2-hydroxyphenyl)butanoic acid
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: C1=CC=C(C(=C1)CCCC(=O)O)O
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Product OPENEYE NAME: methyl 2-amino-1-(4-fluorophenyl)-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate
CAS Name: 2-amino-1-(4-fluorophenyl)-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-amino-1-(4-fluorophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-1-(4-fluorophenyl)-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C22H20FN3O3
MOLECULAR WEIGHT: 393.410903
SMILES: COC(=O)C1=C(N(C2=C(C1C3=CN=CC=C3)C(=O)CCC2)C4=CC=C(C=C4)F)N
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Product OPENEYE NAME: N-[1-[benzyl(tetrahydrofuran-2-ylmethyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]furan-2-carboxamide
CAS Name: N-[1,1,1,3,3,3-hexafluoro-2-[2-oxolanylmethyl-(phenylmethyl)amino]propan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[2-[benzyl(oxolan-2-ylmethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[1,1,1,3,3,3-hexakis(fluoranyl)-2-[oxolan-2-ylmethyl-(phenylmethyl)amino]propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C20H20F6N2O3
MOLECULAR WEIGHT: 450.374819
SMILES: C1CC(OC1)CN(CC2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-(5-chloro-2,4-dimethoxy-phenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
IUPAC NAME: N-(5-chloro-2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
SYSTEMATIC NAME: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butanamide
MOLECULAR FORMULA: C13H12ClF6NO4
MOLECULAR WEIGHT: 395.682099
SMILES: COC1=CC(=C(C=C1NC(=O)CC(C(F)(F)F)(C(F)(F)F)O)Cl)OC
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Product OPENEYE NAME: 3,3,6,7-tetramethyl-N-(4-nitrophenyl)-4H-isoquinolin-1-amine
CAS Name: 3,3,6,7-tetramethyl-N-(4-nitrophenyl)-4H-isoquinolin-1-amine
IUPAC NAME: 3,3,6,7-tetramethyl-N-(4-nitrophenyl)-4H-isoquinolin-1-amine
SYSTEMATIC NAME: 3,3,6,7-tetramethyl-N-(4-nitrophenyl)-4H-isoquinolin-1-amine
MOLECULAR FORMULA: C19H21N3O2
MOLECULAR WEIGHT: 323.38894
SMILES: CC1=C(C=C2C(=C1)CC(N=C2NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C
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Product OPENEYE NAME: bis(4-fluorophenyl)methyl 2,6-dimethylmorpholine-4-carbodithioate
CAS Name: 2,6-dimethyl-4-morpholinecarbodithioic acid bis(4-fluorophenyl)methyl ester
IUPAC NAME: bis(4-fluorophenyl)methyl 2,6-dimethylmorpholine-4-carbodithioate
SYSTEMATIC NAME: bis(4-fluorophenyl)methyl 2,6-dimethylmorpholine-4-carbodithioate
MOLECULAR FORMULA: C20H21F2NOS2
MOLECULAR WEIGHT: 393.513646
SMILES: CC1CN(CC(O1)C)C(=S)SC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
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Product OPENEYE NAME: diethyl 5-[[2-[[4-(4-fluorophenyl)-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate
CAS Name: 5-[[2-[[4-(4-fluorophenyl)-5-[[(1-oxo-2-phenylethyl)amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 5-[[2-[[4-(4-fluorophenyl)-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SYSTEMATIC NAME: diethyl 5-[2-[[4-(4-fluorophenyl)-5-[(2-phenylethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C30H30FN5O6S2
MOLECULAR WEIGHT: 639.717503
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)CC4=CC=CC=C4
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Product OPENEYE NAME: 3-[4-(difluoromethoxy)phenyl]-1-(m-tolyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CAS Name: 3-[4-(difluoromethoxy)phenyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
IUPAC NAME: 3-[4-(difluoromethoxy)phenyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SYSTEMATIC NAME: 3-[4-[bis(fluoranyl)methoxy]phenyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
MOLECULAR FORMULA: C21H23F2N2O2+
MOLECULAR WEIGHT: 373.416326
SMILES: CC1=CC(=CC=C1)N2CC([N+]3=C2CCCC3)(C4=CC=C(C=C4)OC(F)F)O
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Product OPENEYE NAME: (4-chloro-3-nitro-phenyl)-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CAS Name: (4-chloro-3-nitrophenyl)-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
IUPAC NAME: (4-chloro-3-nitrophenyl)-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SYSTEMATIC NAME: (4-chloranyl-3-nitro-phenyl)-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
MOLECULAR FORMULA: C26H25ClN2O7
MOLECULAR WEIGHT: 512.9389
SMILES: COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC)OC
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Product OPENEYE NAME: N-(4-fluorophenyl)-2-[1-(o-tolylmethyl)indol-3-yl]sulfanyl-acetamide
CAS Name: N-(4-fluorophenyl)-2-[[1-[(2-methylphenyl)methyl]-3-indolyl]thio]acetamide
IUPAC NAME: N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C24H21FN2OS
MOLECULAR WEIGHT: 404.499743
SMILES: CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: N-(3,5-dimethylphenyl)-2-(o-tolyl)quinoline-4-carboxamide
CAS Name: N-(3,5-dimethylphenyl)-2-(2-methylphenyl)-4-quinolinecarboxamide
IUPAC NAME: N-(3,5-dimethylphenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C25H22N2O
MOLECULAR WEIGHT: 366.45498
SMILES: CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)C)C
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