Friday, May 3, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CAS Name: 1-[5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone
IUPAC NAME: 1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[5-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C18H17ClF3N3O4S
MOLECULAR WEIGHT: 463.85849
SMILES: CC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F
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Product OPENEYE NAME: 4-(4-benzylpiperazin-1-yl)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CAS Name: N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[4-(phenylmethyl)-1-piperazinyl]aniline
IUPAC NAME: 4-(4-benzylpiperazin-1-yl)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SYSTEMATIC NAME: N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[4-(phenylmethyl)piperazin-1-yl]aniline
MOLECULAR FORMULA: C25H33N5O
MOLECULAR WEIGHT: 419.56242
SMILES: C[C@H](C1=NC(=NO1)C(C)(C)C)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4
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Product OPENEYE NAME: 4-(4-benzylpiperazin-1-yl)-N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CAS Name: N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[4-(phenylmethyl)-1-piperazinyl]aniline
IUPAC NAME: 4-(4-benzylpiperazin-1-yl)-N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SYSTEMATIC NAME: N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[4-(phenylmethyl)piperazin-1-yl]aniline
MOLECULAR FORMULA: C25H33N5O
MOLECULAR WEIGHT: 419.56242
SMILES: C[C@@H](C1=NC(=NO1)C(C)(C)C)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4
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Product OPENEYE NAME: 4-(4-benzylpiperazin-1-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CAS Name: N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[4-(phenylmethyl)-1-piperazinyl]aniline
IUPAC NAME: 4-(4-benzylpiperazin-1-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SYSTEMATIC NAME: N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[4-(phenylmethyl)piperazin-1-yl]aniline
MOLECULAR FORMULA: C22H27N5O
MOLECULAR WEIGHT: 377.48268
SMILES: CC1=NOC(=N1)[C@@H](C)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4
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Product OPENEYE NAME: 4-(4-benzylpiperazin-1-yl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CAS Name: N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[4-(phenylmethyl)-1-piperazinyl]aniline
IUPAC NAME: 4-(4-benzylpiperazin-1-yl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SYSTEMATIC NAME: N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[4-(phenylmethyl)piperazin-1-yl]aniline
MOLECULAR FORMULA: C22H27N5O
MOLECULAR WEIGHT: 377.48268
SMILES: CC1=NOC(=N1)[C@H](C)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4
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Product OPENEYE NAME: 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
CAS Name: 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyridin-2-one
IUPAC NAME: 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
SYSTEMATIC NAME: 3-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyridin-2-one
MOLECULAR FORMULA: C17H15ClF3N3O4S
MOLECULAR WEIGHT: 449.83191
SMILES: C1CN(CCN1C(=O)C2=CC=CNC2=O)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F
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Product OPENEYE NAME: 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-N-[(1R)-1-phenylethyl]benzamide
CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-N-[(1R)-1-phenylethyl]benzamide
IUPAC NAME: 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[(1R)-1-phenylethyl]benzamide
SYSTEMATIC NAME: 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-N-[(1R)-1-phenylethyl]benzamide
MOLECULAR FORMULA: C21H24N2O2S
MOLECULAR WEIGHT: 368.49246
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3
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Product OPENEYE NAME: 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-N-[(1S)-1-phenylethyl]benzamide
CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-N-[(1S)-1-phenylethyl]benzamide
IUPAC NAME: 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[(1S)-1-phenylethyl]benzamide
SYSTEMATIC NAME: 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-N-[(1S)-1-phenylethyl]benzamide
MOLECULAR FORMULA: C21H24N2O2S
MOLECULAR WEIGHT: 368.49246
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3
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Product OPENEYE NAME: (2R)-2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(5-quinolyl)propanamide
CAS Name: (2R)-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-N-(5-quinolinyl)propanamide
IUPAC NAME: (2R)-2-[4-(4-benzylpiperazin-1-yl)anilino]-N-quinolin-5-ylpropanamide
SYSTEMATIC NAME: (2R)-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]-N-quinolin-5-yl-propanamide
MOLECULAR FORMULA: C29H31N5O
MOLECULAR WEIGHT: 465.58934
SMILES: C[C@H](C(=O)NC1=CC=CC2=C1C=CC=N2)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5
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Product OPENEYE NAME: (2S)-2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(5-quinolyl)propanamide
CAS Name: (2S)-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-N-(5-quinolinyl)propanamide
IUPAC NAME: (2S)-2-[4-(4-benzylpiperazin-1-yl)anilino]-N-quinolin-5-ylpropanamide
SYSTEMATIC NAME: (2S)-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]-N-quinolin-5-yl-propanamide
MOLECULAR FORMULA: C29H31N5O
MOLECULAR WEIGHT: 465.58934
SMILES: C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5
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Product OPENEYE NAME: (4-methylsulfanylphenyl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [4-(methylthio)phenyl]methyl ester
IUPAC NAME: (4-methylsulfanylphenyl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: (4-methylsulfanylphenyl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C19H18N2O2S2
MOLECULAR WEIGHT: 370.48842
SMILES: CSC1=CC=C(C=C1)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3
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