Thursday, May 9, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-yl-methanone
CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-pyrazinyl)methanone
IUPAC NAME: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
SYSTEMATIC NAME: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-yl-methanone
MOLECULAR FORMULA: C18H22N4O2
MOLECULAR WEIGHT: 326.39288
SMILES: COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NC=CN=C3
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Product OPENEYE NAME: (2,4-dichloro-5-fluoro-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone
CAS Name: (2,4-dichloro-5-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone
IUPAC NAME: (2,4-dichloro-5-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone
SYSTEMATIC NAME: [2,4-bis(chloranyl)-5-fluoranyl-phenyl]-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone
MOLECULAR FORMULA: C20H22Cl2FN2O2+
MOLECULAR WEIGHT: 412.305283
SMILES: COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC(=C(C=C3Cl)Cl)F
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Product OPENEYE NAME: (2,4-dichloro-5-fluoro-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CAS Name: (2,4-dichloro-5-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
IUPAC NAME: (2,4-dichloro-5-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
SYSTEMATIC NAME: [2,4-bis(chloranyl)-5-fluoranyl-phenyl]-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C20H21Cl2FN2O2
MOLECULAR WEIGHT: 411.297343
SMILES: COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3Cl)Cl)F
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Product OPENEYE NAME: (2,3-dimethylquinoxalin-6-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone
CAS Name: (2,3-dimethyl-6-quinoxalinyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone
IUPAC NAME: (2,3-dimethylquinoxalin-6-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone
SYSTEMATIC NAME: (2,3-dimethylquinoxalin-6-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone
MOLECULAR FORMULA: C24H29N4O2+
MOLECULAR WEIGHT: 405.51266
SMILES: CC1=NC2=C(C=C(C=C2)C(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)OC)N=C1C
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Product OPENEYE NAME: (2,3-dimethylquinoxalin-6-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CAS Name: (2,3-dimethyl-6-quinoxalinyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
IUPAC NAME: (2,3-dimethylquinoxalin-6-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
SYSTEMATIC NAME: (2,3-dimethylquinoxalin-6-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C24H28N4O2
MOLECULAR WEIGHT: 404.50472
SMILES: CC1=NC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC)N=C1C
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Product OPENEYE NAME: (2,4-dimethylthiazol-5-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CAS Name: (2,4-dimethyl-5-thiazolyl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
IUPAC NAME: (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SYSTEMATIC NAME: (2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
MOLECULAR FORMULA: C17H17N3OS
MOLECULAR WEIGHT: 311.40138
SMILES: CC1=C(SC(=N1)C)C(=O)N2CCC3=C(C2)C4=CC=CC=C4N3
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Product OPENEYE NAME: 2-ethoxy-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CAS Name: 2-ethoxy-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
IUPAC NAME: 2-ethoxy-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
SYSTEMATIC NAME: 2-ethoxy-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: CCOCC(=O)N1CCC2=C(C1)C3=CC=CC=C3N2
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Product OPENEYE NAME: 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazine-2-carboxamide
CAS Name: 3-amino-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-pyrazinecarboxamide
IUPAC NAME: 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazine-2-carboxamide
SYSTEMATIC NAME: 3-azanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazine-2-carboxamide
MOLECULAR FORMULA: C13H18N6O
MOLECULAR WEIGHT: 274.32162
SMILES: CC1=CC(=NN1CCCNC(=O)C2=NC=CN=C2N)C
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Product OPENEYE NAME: 8-[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione
CAS Name: 8-[[3-[(8-methyl-2-imidazo[1,2-a]pyridinyl)methoxy]phenyl]-oxomethyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione
IUPAC NAME: 8-[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-2,4,8-triazaspiro[4.5]decane-1,3-dione
SYSTEMATIC NAME: 8-[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]carbonyl-2,4,8-triazaspiro[4.5]decane-1,3-dione
MOLECULAR FORMULA: C23H23N5O4
MOLECULAR WEIGHT: 433.45982
SMILES: CC1=CC=CN2C1=NC(=C2)COC3=CC=CC(=C3)C(=O)N4CCC5(CC4)C(=O)NC(=O)N5
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Product OPENEYE NAME: [4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CAS Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
IUPAC NAME: [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SYSTEMATIC NAME: [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
MOLECULAR FORMULA: C22H27N5O3
MOLECULAR WEIGHT: 409.48148
SMILES: CC1=CC=NC2=NC(=NN12)C(=O)N3CCC(CC3)CCC4=CC(=CC(=C4)OC)OC
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Product OPENEYE NAME: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(3-methyl-2-thienyl)methanone
CAS Name: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(3-methyl-2-thiophenyl)methanone
IUPAC NAME: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SYSTEMATIC NAME: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
MOLECULAR FORMULA: C18H19N3OS
MOLECULAR WEIGHT: 325.42796
SMILES: CC1=C(SC=C1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4N3
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Product OPENEYE NAME: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(3-methyl-2-thienyl)methanone
CAS Name: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(3-methyl-2-thiophenyl)methanone
IUPAC NAME: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SYSTEMATIC NAME: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
MOLECULAR FORMULA: C18H19N3OS
MOLECULAR WEIGHT: 325.42796
SMILES: CC1=C(SC=C1)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3
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Product OPENEYE NAME: N-[(1R)-indan-1-yl]-2,4-dimethyl-thiazole-5-carboxamide
CAS Name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-5-thiazolecarboxamide
IUPAC NAME: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C15H16N2OS
MOLECULAR WEIGHT: 272.36534
SMILES: CC1=C(SC(=N1)C)C(=O)N[C@@H]2CCC3=CC=CC=C23
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Product OPENEYE NAME: N-[(1S)-indan-1-yl]-2,4-dimethyl-thiazole-5-carboxamide
CAS Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-5-thiazolecarboxamide
IUPAC NAME: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C15H16N2OS
MOLECULAR WEIGHT: 272.36534
SMILES: CC1=C(SC(=N1)C)C(=O)N[C@H]2CCC3=CC=CC=C23
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Product OPENEYE NAME: 2-methoxy-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide
CAS Name: 2-methoxy-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide
IUPAC NAME: 2-methoxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SYSTEMATIC NAME: 2-methoxy-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide
MOLECULAR FORMULA: C17H21N3O2
MOLECULAR WEIGHT: 299.36754
SMILES: COCC(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3
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Product OPENEYE NAME: [1-(1-methylpyrrole-2-carbonyl)-4-piperidyl]-phenyl-methanone
CAS Name: [1-[(1-methyl-2-pyrrolyl)-oxomethyl]-4-piperidinyl]-phenylmethanone
IUPAC NAME: [1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-phenylmethanone
SYSTEMATIC NAME: [1-(1-methylpyrrol-2-yl)carbonylpiperidin-4-yl]-phenyl-methanone
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: CN1C=CC=C1C(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1R)-1-(4-chlorophenyl)propyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CAS Name: N-[(1R)-1-(4-chlorophenyl)propyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC NAME: N-[(1R)-1-(4-chlorophenyl)propyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-(4-chlorophenyl)propyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C16H16ClN5O
MOLECULAR WEIGHT: 329.78414
SMILES: CC[C@H](C1=CC=C(C=C1)Cl)NC(=O)C2=NN3C(=CC=NC3=N2)C
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Product OPENEYE NAME: N-[(1S)-1-(4-chlorophenyl)propyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CAS Name: N-[(1S)-1-(4-chlorophenyl)propyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC NAME: N-[(1S)-1-(4-chlorophenyl)propyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-(4-chlorophenyl)propyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C16H16ClN5O
MOLECULAR WEIGHT: 329.78414
SMILES: CC[C@@H](C1=CC=C(C=C1)Cl)NC(=O)C2=NN3C(=CC=NC3=N2)C
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Product OPENEYE NAME: 2-[2-[(4-chlorophenoxy)methyl]thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CAS Name: 2-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]-1-[4-(2-pyrazinyl)-1-piperazinyl]ethanone
IUPAC NAME: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SYSTEMATIC NAME: 2-[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
MOLECULAR FORMULA: C20H20ClN5O2S
MOLECULAR WEIGHT: 429.9231
SMILES: C1CN(CCN1C2=NC=CN=C2)C(=O)CC3=CSC(=N3)COC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CAS Name: 7-methyl-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC NAME: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: 7-methyl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C24H21N7O
MOLECULAR WEIGHT: 423.46984
SMILES: CC1=CC=NC2=NC(=NN12)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5
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