Sunday, November 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: sodium 2-[1-(2-benzyloxy-5-chloro-phenyl)-5-methyl-pyrazol-3-yl]acetate
CAS Name: sodium 2-[1-(5-chloro-2-phenylmethoxyphenyl)-5-methyl-3-pyrazolyl]acetate
IUPAC NAME: sodium 2-[1-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrazol-3-yl]acetate
SYSTEMATIC NAME: sodium 2-[1-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-pyrazol-3-yl]ethanoate
MOLECULAR FORMULA: C19H16ClN2NaO3
MOLECULAR WEIGHT: 378.78471
SMILES: CC1=CC(=NN1C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)CC(=O)[O-].[Na+]
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Product OPENEYE NAME: 2-[1-(2-benzyloxy-5-chloro-phenyl)-5-methyl-pyrazol-3-yl]acetic acid
CAS Name: 2-[1-(5-chloro-2-phenylmethoxyphenyl)-5-methyl-3-pyrazolyl]acetic acid
IUPAC NAME: 2-[1-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrazol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[1-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-pyrazol-3-yl]ethanoic acid
MOLECULAR FORMULA: C19H17ClN2O3
MOLECULAR WEIGHT: 356.80288
SMILES: CC1=CC(=NN1C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)CC(=O)O
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Product OPENEYE NAME: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-1-methyl-N-[(4-methylsulfonylphenyl)methyl]imidazole-4-sulfonamide
CAS Name: N-[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-1-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-imidazolesulfonamide
IUPAC NAME: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-1-methyl-N-[(4-methylsulfonylphenyl)methyl]imidazole-4-sulfonamide
SYSTEMATIC NAME: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxidanylidene-3,4-dihydro-1,8-naphthyridin-3-yl]-1-methyl-N-[(4-methylsulfonylphenyl)methyl]imidazole-4-sulfonamide
MOLECULAR FORMULA: C26H26N8O5S2
MOLECULAR WEIGHT: 594.66524
SMILES: CN1C=C(N=C1)S(=O)(=O)N(CC2=CC=C(C=C2)S(=O)(=O)C)C3CC4=C(N=CC(=C4)C#N)N(C3=O)CC5=CN=CN5C
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Product OPENEYE NAME: sodium 2-(2-benzyloxy-5-chloro-phenyl)thiazole-4-carboxylate
CAS Name: sodium 2-(5-chloro-2-phenylmethoxyphenyl)-4-thiazolecarboxylate
IUPAC NAME: sodium 2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: sodium 2-(5-chloranyl-2-phenylmethoxy-phenyl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C17H11ClNNaO3S
MOLECULAR WEIGHT: 367.78191
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]
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Product OPENEYE NAME: N-[4-[4-amino-6-(3-pyridyl)furo[2,3-d]pyrimidin-5-yl]phenyl]-3-fluoro-benzamide
CAS Name: N-[4-[4-amino-6-(3-pyridinyl)-5-furo[2,3-d]pyrimidinyl]phenyl]-3-fluorobenzamide
IUPAC NAME: N-[4-(4-amino-6-pyridin-3-ylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-fluorobenzamide
SYSTEMATIC NAME: N-[4-(4-azanyl-6-pyridin-3-yl-furo[2,3-d]pyrimidin-5-yl)phenyl]-3-fluoranyl-benzamide
MOLECULAR FORMULA: C24H16FN5O2
MOLECULAR WEIGHT: 425.414543
SMILES: C1=CC(=CC(=C1)F)C(=O)NC2=CC=C(C=C2)C3=C(OC4=NC=NC(=C34)N)C5=CN=CC=C5
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Product OPENEYE NAME: N-[4-[4-amino-6-(3-pyridyl)furo[2,3-d]pyrimidin-5-yl]phenyl]acetamide
CAS Name: N-[4-[4-amino-6-(3-pyridinyl)-5-furo[2,3-d]pyrimidinyl]phenyl]acetamide
IUPAC NAME: N-[4-(4-amino-6-pyridin-3-ylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(4-azanyl-6-pyridin-3-yl-furo[2,3-d]pyrimidin-5-yl)phenyl]ethanamide
MOLECULAR FORMULA: C19H15N5O2
MOLECULAR WEIGHT: 345.3547
SMILES: CC(=O)NC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)N)C4=CN=CC=C4
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Product OPENEYE NAME: N-[(2R)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxy-1-piperidyl]methyl]indan-5-yl]-2-methyl-propanamide
CAS Name: N-[(2R)-2-[[(3R,4R)-4-(2,5-dimethyl-1-benzimidazolyl)-3-methoxy-1-piperidinyl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
IUPAC NAME: N-[(2R)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[(2R)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxy-piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C29H38N4O2
MOLECULAR WEIGHT: 474.63762
SMILES: CC1=CC2=C(C=C1)N(C(=N2)C)[C@@H]3CCN(C[C@H]3OC)C[C@@H]4CC5=C(C4)C=C(C=C5)NC(=O)C(C)C
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Product OPENEYE NAME: N-[3-[3-[(3S,4S)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxy-1-piperidyl]propyl]phenyl]cyclopropanecarboxamide
CAS Name: N-[3-[3-[(3S,4S)-4-(2,5-dimethyl-1-benzimidazolyl)-3-methoxy-1-piperidinyl]propyl]phenyl]cyclopropanecarboxamide
IUPAC NAME: N-[3-[3-[(3S,4S)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]propyl]phenyl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[3-[3-[(3S,4S)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxy-piperidin-1-yl]propyl]phenyl]cyclopropanecarboxamide
MOLECULAR FORMULA: C28H36N4O2
MOLECULAR WEIGHT: 460.61104
SMILES: CC1=CC2=C(C=C1)N(C(=N2)C)[C@H]3CCN(C[C@@H]3OC)CCCC4=CC(=CC=C4)NC(=O)C5CC5
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Product OPENEYE NAME: 3-[(1R,2R)-1-(cyclopropylmethoxy)-2-[(dimethylamino)methyl]cyclohexyl]phenol
CAS Name: 3-[(1R,2R)-1-(cyclopropylmethoxy)-2-[(dimethylamino)methyl]cyclohexyl]phenol
IUPAC NAME: 3-[(1R,2R)-1-(cyclopropylmethoxy)-2-[(dimethylamino)methyl]cyclohexyl]phenol
SYSTEMATIC NAME: 3-[(1R,2R)-1-(cyclopropylmethoxy)-2-[(dimethylamino)methyl]cyclohexyl]phenol
MOLECULAR FORMULA: C19H29NO2
MOLECULAR WEIGHT: 303.43906
SMILES: CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)OCC3CC3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H34O7
MOLECULAR WEIGHT: 494.57606
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)COC5=CC=CC=C5C6=CC=CC=C6)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H34O6
MOLECULAR WEIGHT: 478.57666
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)CC5=CC=C(C=C5)C6=CC=CC=C6)C
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Product OPENEYE NAME: N-cyano-4-[2-(5-methylisoxazol-3-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine
CAS Name: N-cyano-4-[2-(5-methyl-3-isoxazolyl)-1-oxoethyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-4-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-4-[2-(5-methyl-1,2-oxazol-3-yl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide
MOLECULAR FORMULA: C25H26N6O2
MOLECULAR WEIGHT: 442.51294
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=NOC(=C4)C
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Product OPENEYE NAME: 1-[3-[(1R,5S)-3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CAS Name: 1-[3-[(1R,5S)-3-[2-methyl-5-(2-methyl-1-oxopropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
IUPAC NAME: 1-[3-[(1R,5S)-3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
SYSTEMATIC NAME: 1-[3-[(1R,5S)-3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenyl-urea
MOLECULAR FORMULA: C35H46N6O2
MOLECULAR WEIGHT: 582.77874
SMILES: CC1=CC=C(C=C1)NC(=O)N(CCCN2[C@@H]3CC[C@H]2CC(C3)N4C(=NC5=C4CCN(C5)C(=O)C(C)C)C)C6=CC=CC=C6
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Product OPENEYE NAME: 1-[3-[(1R,5S)-3-[5-(2,2-dimethylpropanoyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CAS Name: 1-[3-[(1R,5S)-3-[5-(2,2-dimethyl-1-oxopropyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
IUPAC NAME: 1-[3-[(1R,5S)-3-[5-(2,2-dimethylpropanoyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
SYSTEMATIC NAME: 1-[3-[(1R,5S)-3-[5-(2,2-dimethylpropanoyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenyl-urea
MOLECULAR FORMULA: C36H48N6O2
MOLECULAR WEIGHT: 596.80532
SMILES: CC1=CC=C(C=C1)NC(=O)N(CCCN2[C@@H]3CC[C@H]2CC(C3)N4C(=NC5=C4CCN(C5)C(=O)C(C)(C)C)C)C6=CC=CC=C6
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Product OPENEYE NAME: 1-[3-[(1R,5S)-3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CAS Name: 1-[3-[(1R,5S)-3-[5-[cyclopropyl(oxo)methyl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
IUPAC NAME: 1-[3-[(1R,5S)-3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
SYSTEMATIC NAME: 1-[3-[(1R,5S)-3-(5-cyclopropylcarbonyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenyl-urea
MOLECULAR FORMULA: C35H44N6O2
MOLECULAR WEIGHT: 580.76286
SMILES: CC1=CC=C(C=C1)NC(=O)N(CCCN2[C@@H]3CC[C@H]2CC(C3)N4C(=NC5=C4CCN(C5)C(=O)C6CC6)C)C7=CC=CC=C7
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Product OPENEYE NAME: N-cyano-4-[2-(3-methylisoxazol-5-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine
CAS Name: N-cyano-4-[2-(3-methyl-5-isoxazolyl)-1-oxoethyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-4-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide
MOLECULAR FORMULA: C25H26N6O2
MOLECULAR WEIGHT: 442.51294
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC(=NO4)C
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Product OPENEYE NAME: N-cyano-N'-(o-tolyl)-3-phenyl-4-[2-(4-pyridyl)acetyl]piperazine-1-carboxamidine
CAS Name: N-cyano-N'-(2-methylphenyl)-4-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-pyridin-4-ylacetyl)piperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-pyridin-4-ylethanoyl)piperazine-1-carboximidamide
MOLECULAR FORMULA: C26H26N6O
MOLECULAR WEIGHT: 438.52424
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC=NC=C4
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Product OPENEYE NAME: N-cyano-N'-(o-tolyl)-3-phenyl-4-[2-(3-pyridyl)acetyl]piperazine-1-carboxamidine
CAS Name: N-cyano-N'-(2-methylphenyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-pyridin-3-ylacetyl)piperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-pyridin-3-ylethanoyl)piperazine-1-carboximidamide
MOLECULAR FORMULA: C26H26N6O
MOLECULAR WEIGHT: 438.52424
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CN=CC=C4
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Product OPENEYE NAME: N-cyano-4-[2-(2-naphthyl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine
CAS Name: N-cyano-N'-(2-methylphenyl)-4-[2-(2-naphthalenyl)-1-oxoethyl]-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-N'-(2-methylphenyl)-4-(2-naphthalen-2-ylacetyl)-3-phenylpiperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-N'-(2-methylphenyl)-4-(2-naphthalen-2-ylethanoyl)-3-phenyl-piperazine-1-carboximidamide
MOLECULAR FORMULA: C31H29N5O
MOLECULAR WEIGHT: 487.59486
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC5=CC=CC=C5C=C4
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Product OPENEYE NAME: 2-[2-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxo-ethyl]-1-oxo-3,4-dihydroisoquinolin-4-yl]acetic acid
CAS Name: 2-[2-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-1-oxo-3,4-dihydroisoquinolin-4-yl]acetic acid
IUPAC NAME: 2-[2-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-1-oxo-3,4-dihydroisoquinolin-4-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxidanylidene-ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]ethanoic acid
MOLECULAR FORMULA: C27H25N5O4
MOLECULAR WEIGHT: 483.5185
SMILES: C1C(C2=CC=CC=C2C(=O)N1CC(=O)NCC3=CC=C(C=C3)NC4=NC5=CC=CC=C5N4)CC(=O)O
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