Thursday, January 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[1-[(4-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2,7,7-trimethyl-5-oxo-N-(2-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
CAS Name: 4-[1-[(4-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-2,7,7-trimethyl-5-oxo-N-(2-pyridinyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
IUPAC NAME: 4-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
SYSTEMATIC NAME: 4-[1-[(4-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2,7,7-trimethyl-5-oxidanylidene-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
MOLECULAR FORMULA: C34H32ClN5O2
MOLECULAR WEIGHT: 578.10318
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Cl)C(=O)NC6=CC=CC=N6
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Product OPENEYE NAME: 2-(4-ethylphenoxy)-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]acetamide
CAS Name: 2-(4-ethylphenoxy)-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]acetamide
IUPAC NAME: 2-(4-ethylphenoxy)-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]acetamide
SYSTEMATIC NAME: 2-(4-ethylphenoxy)-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]ethanamide
MOLECULAR FORMULA: C23H19N3O5
MOLECULAR WEIGHT: 417.41406
SMILES: CCC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 4-methyl-N-(2,3,4,5,6-pentachlorophenyl)piperazine-1-carboxamide
CAS Name: 4-methyl-N-(2,3,4,5,6-pentachlorophenyl)-1-piperazinecarboxamide
IUPAC NAME: 4-methyl-N-(2,3,4,5,6-pentachlorophenyl)piperazine-1-carboxamide
SYSTEMATIC NAME: 4-methyl-N-[2,3,4,5,6-pentakis(chloranyl)phenyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C12H12Cl5N3O
MOLECULAR WEIGHT: 391.50818
SMILES: CN1CCN(CC1)C(=O)NC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 1-(4-hydroxyphenyl)-3-propyl-thiourea
CAS Name: 1-(4-hydroxyphenyl)-3-propylthiourea
IUPAC NAME: 1-(4-hydroxyphenyl)-3-propylthiourea
SYSTEMATIC NAME: 1-(4-hydroxyphenyl)-3-propyl-thiourea
MOLECULAR FORMULA: C10H14N2OS
MOLECULAR WEIGHT: 210.29596
SMILES: CCCNC(=S)NC1=CC=C(C=C1)O
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Product OPENEYE NAME: 3-(3,5-dichlorophenyl)-1,1-diisopropyl-urea
CAS Name: 3-(3,5-dichlorophenyl)-1,1-di(propan-2-yl)urea
IUPAC NAME: 3-(3,5-dichlorophenyl)-1,1-di(propan-2-yl)urea
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)phenyl]-1,1-di(propan-2-yl)urea
MOLECULAR FORMULA: C13H18Cl2N2O
MOLECULAR WEIGHT: 289.20082
SMILES: CC(C)N(C(C)C)C(=O)NC1=CC(=CC(=C1)Cl)Cl
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Product OPENEYE NAME: 1-(4-acetylphenyl)-3-(2,5-difluorophenyl)urea
CAS Name: 1-(4-acetylphenyl)-3-(2,5-difluorophenyl)urea
IUPAC NAME: 1-(4-acetylphenyl)-3-(2,5-difluorophenyl)urea
SYSTEMATIC NAME: 1-[2,5-bis(fluoranyl)phenyl]-3-(4-ethanoylphenyl)urea
MOLECULAR FORMULA: C15H12F2N2O2
MOLECULAR WEIGHT: 290.264786
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)F)F
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Product OPENEYE NAME: 5-methoxy-3-phenyl-indoline-2-carbaldehyde
CAS Name: 5-methoxy-3-phenyl-2,3-dihydro-1H-indole-2-carboxaldehyde
IUPAC NAME: 5-methoxy-3-phenyl-2,3-dihydro-1H-indole-2-carbaldehyde
SYSTEMATIC NAME: 5-methoxy-3-phenyl-2,3-dihydro-1H-indole-2-carbaldehyde
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: COC1=CC2=C(C=C1)NC(C2C3=CC=CC=C3)C=O
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Product OPENEYE NAME: N1,N2-dibenzyl-N1,N2-bis(o-tolyl)phthalamide
CAS Name: N1,N2-bis(2-methylphenyl)-N1,N2-bis(phenylmethyl)benzene-1,2-dicarboxamide
IUPAC NAME: 1-N,2-N-dibenzyl-1-N,2-N-bis(2-methylphenyl)benzene-1,2-dicarboxamide
SYSTEMATIC NAME: N1,N2-bis(2-methylphenyl)-N1,N2-bis(phenylmethyl)benzene-1,2-dicarboxamide
MOLECULAR FORMULA: C36H32N2O2
MOLECULAR WEIGHT: 524.65148
SMILES: CC1=CC=CC=C1N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5C
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Product OPENEYE NAME: 2-methyl-5-morpholinosulfonyl-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide
CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide
IUPAC NAME: 2-methyl-5-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: 2-methyl-5-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C24H30N4O6S3
MOLECULAR WEIGHT: 566.7132
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4
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Product OPENEYE NAME: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(benzimidazol-1-yl)acetate
CAS Name: 2-(1-benzimidazolyl)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(1-adamantylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SYSTEMATIC NAME: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(benzimidazol-1-yl)ethanoate
MOLECULAR FORMULA: C21H25N3O3
MOLECULAR WEIGHT: 367.4415
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CN4C=NC5=CC=CC=C54
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Product OPENEYE NAME: (1-ethyl-4-nitro-pyrazol-3-yl)-[3-(2-hydroxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]methanone
CAS Name: (1-ethyl-4-nitro-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanone
IUPAC NAME: (1-ethyl-4-nitropyrazol-3-yl)-[3-(2-hydroxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SYSTEMATIC NAME: (1-ethyl-4-nitro-pyrazol-3-yl)-[3-(2-hydroxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]methanone
MOLECULAR FORMULA: C25H21N5O4
MOLECULAR WEIGHT: 455.46534
SMILES: CCN1C=C(C(=N1)C(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5O)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methyleneamino]propanamide
CAS Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(3-methoxyphenyl)methylideneamino]propanamide
IUPAC NAME: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methylideneamino]propanamide
SYSTEMATIC NAME: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methylideneamino]propanamide
MOLECULAR FORMULA: C22H22BrN5O2S
MOLECULAR WEIGHT: 500.41138
SMILES: CC(C(=O)NN=CC1=CC(=CC=C1)OC)SC2=NN=C(N2CC=C)C3=CC(=CC=C3)Br
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Product OPENEYE NAME: 3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CAS Name: 3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-2-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: 3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: 3-chloranyl-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C23H22ClF3N6O3
MOLECULAR WEIGHT: 522.90739
SMILES: CC1=C(C(=NN1C)C)CNC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC(=C(C=C4)OC)OC)C(F)(F)F
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Product OPENEYE NAME: dimethyl 7-(2,4-dichlorobenzoyl)-3-(p-tolyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CAS Name: 7-[(2,4-dichlorophenyl)-oxomethyl]-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 7-(2,4-dichlorobenzoyl)-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 7-(2,4-dichlorophenyl)carbonyl-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
MOLECULAR FORMULA: C25H18Cl2N2O5
MOLECULAR WEIGHT: 497.32682
SMILES: CC1=CC=C(C=C1)C2=CC3=C(C(=C(N3C=N2)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: N-(1-adamantyl)-4-[4-methyl-2-(2-nitroanilino)thiazol-5-yl]-2,4-dioxo-butanamide
CAS Name: N-(1-adamantyl)-4-[4-methyl-2-(2-nitroanilino)-5-thiazolyl]-2,4-dioxobutanamide
IUPAC NAME: N-(1-adamantyl)-4-[4-methyl-2-(2-nitroanilino)-1,3-thiazol-5-yl]-2,4-dioxobutanamide
SYSTEMATIC NAME: N-(1-adamantyl)-4-[4-methyl-2-[(2-nitrophenyl)amino]-1,3-thiazol-5-yl]-2,4-bis(oxidanylidene)butanamide
MOLECULAR FORMULA: C24H26N4O5S
MOLECULAR WEIGHT: 482.55204
SMILES: CC1=C(SC(=N1)NC2=CC=CC=C2[N+](=O)[O-])C(=O)CC(=O)C(=O)NC34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(2,4,6-trimethylphenyl)methyleneamino]oxamide
CAS Name: N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
IUPAC NAME: N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
SYSTEMATIC NAME: N-(5-phenyl-1,3,4-thiadiazol-2-yl)-N'-[(2,4,6-trimethylphenyl)methylideneamino]ethanediamide
MOLECULAR FORMULA: C20H19N5O2S
MOLECULAR WEIGHT: 393.46216
SMILES: CC1=CC(=C(C(=C1)C)C=NNC(=O)C(=O)NC2=NN=C(S2)C3=CC=CC=C3)C
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Product OPENEYE NAME: [2-methoxy-4-[[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazono]methyl]phenyl] 3-chlorobenzothiophene-2-carboxylate
CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-methoxy-4-[[[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [2-methoxy-4-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C32H23ClN6O4S2
MOLECULAR WEIGHT: 655.14582
SMILES: COC1=C(C=CC(=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)OC(=O)C5=C(C6=CC=CC=C6S5)Cl
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