Tuesday, July 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 8-chloro-1,11-dimethyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-11-ium-3-carboxamide
CAS Name: 8-chloro-1,11-dimethyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-11-ium-3-carboxamide
IUPAC NAME: 8-chloro-1,11-dimethyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-11-ium-3-carboxamide
SYSTEMATIC NAME: 8-chloranyl-1,11-dimethyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-11-ium-3-carboxamide
MOLECULAR FORMULA: C20H18ClN4O+
MOLECULAR WEIGHT: 365.83612
SMILES: CC1=NC(=C2[N+]1(C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4)C)C(=O)N
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Product OPENEYE NAME: 2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid
CAS Name: 2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid
IUPAC NAME: 2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid
SYSTEMATIC NAME: 2-acetamido-2-[7-chloranyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid
MOLECULAR FORMULA: C20H15ClFN3O5
MOLECULAR WEIGHT: 431.801603
SMILES: CC(=O)NC(C1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3F)(C(=O)O)C(=O)O
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Product OPENEYE NAME: 8-chloro-6-(1-fluorocyclohexa-2,4-dien-1-yl)-1,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine; 2,3-dihydroxybutanedioic acid
CAS Name: 8-chloro-6-(1-fluoro-1-cyclohexa-2,4-dienyl)-1,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine; 2,3-dihydroxybutanedioic acid
IUPAC NAME: 8-chloro-6-(1-fluorocyclohexa-2,4-dien-1-yl)-1,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine; 2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioic acid; 8-chloranyl-6-(1-fluoranylcyclohexa-2,4-dien-1-yl)-1,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine
MOLECULAR FORMULA: C23H23ClFN3O6
MOLECULAR WEIGHT: 491.896623
SMILES: CC1C2=CN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4(CC=CC=C4)F)C.C(C(C(=O)O)O)(C(=O)O)O
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Product OPENEYE NAME: 8-chloro-6-(1-fluorocyclohexa-2,4-dien-1-yl)-1,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CAS Name: 8-chloro-6-(1-fluoro-1-cyclohexa-2,4-dienyl)-1,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine
IUPAC NAME: 8-chloro-6-(1-fluorocyclohexa-2,4-dien-1-yl)-1,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SYSTEMATIC NAME: 8-chloranyl-6-(1-fluoranylcyclohexa-2,4-dien-1-yl)-1,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine
MOLECULAR FORMULA: C19H17ClFN3
MOLECULAR WEIGHT: 341.809783
SMILES: CC1C2=CN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4(CC=CC=C4)F)C
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Product OPENEYE NAME: N-(nitrosomethyl)-5-phenyl-3H-thieno[3,2-e][1,4]diazepin-2-amine
CAS Name: N-(nitrosomethyl)-5-phenyl-3H-thieno[3,2-e][1,4]diazepin-2-amine
IUPAC NAME: N-(nitrosomethyl)-5-phenyl-3H-thieno[3,2-e][1,4]diazepin-2-amine
SYSTEMATIC NAME: N-(nitrosomethyl)-5-phenyl-3H-thieno[3,2-e][1,4]diazepin-2-amine
MOLECULAR FORMULA: C14H12N4OS
MOLECULAR WEIGHT: 284.33628
SMILES: C1C(=NC2=C(C(=N1)C3=CC=CC=C3)SC=C2)NCN=O
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Product OPENEYE NAME: 7-chloro-5-(2-chlorophenyl)-N-(nitrosomethyl)-3H-thieno[2,3-e][1,4]diazepin-2-amine
CAS Name: 7-chloro-5-(2-chlorophenyl)-N-(nitrosomethyl)-3H-thieno[2,3-e][1,4]diazepin-2-amine
IUPAC NAME: 7-chloro-5-(2-chlorophenyl)-N-(nitrosomethyl)-3H-thieno[2,3-e][1,4]diazepin-2-amine
SYSTEMATIC NAME: 7-chloranyl-5-(2-chlorophenyl)-N-(nitrosomethyl)-3H-thieno[2,3-e][1,4]diazepin-2-amine
MOLECULAR FORMULA: C14H10Cl2N4OS
MOLECULAR WEIGHT: 353.2264
SMILES: C1C(=NC2=C(C=C(S2)Cl)C(=N1)C3=CC=CC=C3Cl)NCN=O
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Product OPENEYE NAME: 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-carboxamide
CAS Name: 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-carboxamide
IUPAC NAME: 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-carboxamide
SYSTEMATIC NAME: 7-chloranyl-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-carboxamide
MOLECULAR FORMULA: C16H13ClFN3O
MOLECULAR WEIGHT: 317.745323
SMILES: C1C(NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)C(=O)N
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Product OPENEYE NAME: 8-ethyl-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepine
CAS Name: 8-ethyl-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepine
IUPAC NAME: 8-ethyl-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepine
SYSTEMATIC NAME: 8-ethyl-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepine
MOLECULAR FORMULA: C20H20FN3
MOLECULAR WEIGHT: 321.391303
SMILES: CCC1=CC2=C(C=C1)N3C(CN=C3C)CN=C2C4=CC=CC=C4F
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Product OPENEYE NAME: N-[[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl]acetamide
CAS Name: N-[[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl]acetamide
IUPAC NAME: N-[[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[7-chloranyl-5-(2-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl]ethanamide
MOLECULAR FORMULA: C18H17Cl2N3O
MOLECULAR WEIGHT: 362.25308
SMILES: CC(=O)NCC1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3Cl
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Product OPENEYE NAME: [7-ethyl-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine
CAS Name: [7-ethyl-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine
IUPAC NAME: [7-ethyl-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine
SYSTEMATIC NAME: [7-ethyl-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine
MOLECULAR FORMULA: C18H20FN3
MOLECULAR WEIGHT: 297.369903
SMILES: CCC1=CC2=C(C=C1)NC(CN=C2C3=CC=CC=C3F)CN
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Product OPENEYE NAME: ethyl (2E)-2-acetamido-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetate; fumaric acid
CAS Name: (2E)-2-acetamido-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetic acid ethyl ester; (E)-2-butenedioic acid
IUPAC NAME: (E)-but-2-enedioic acid; ethyl (2E)-2-acetamido-2-[7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethyl (2E)-2-acetamido-2-[7-chloranyl-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]ethanoate
MOLECULAR FORMULA: C25H23Cl2N3O7
MOLECULAR WEIGHT: 548.37202
SMILES: CCOC(=O)/C(=C\1/CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3Cl)/NC(=O)C.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 7-chloro-5-(2-fluorophenyl)-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine
CAS Name: 7-chloro-5-(2-fluorophenyl)-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine
IUPAC NAME: 7-chloro-5-(2-fluorophenyl)-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine
SYSTEMATIC NAME: 7-chloranyl-5-(2-fluorophenyl)-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine
MOLECULAR FORMULA: C16H12ClFN4O
MOLECULAR WEIGHT: 330.744083
SMILES: C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)NCN=O
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Product OPENEYE NAME: 2-acetamido-2-[7-cyano-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid
CAS Name: 2-acetamido-2-[7-cyano-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid
IUPAC NAME: 2-acetamido-2-[7-cyano-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid
SYSTEMATIC NAME: 2-acetamido-2-[7-cyano-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid
MOLECULAR FORMULA: C21H15FN4O5
MOLECULAR WEIGHT: 422.366003
SMILES: CC(=O)NC(C1=NC2=C(C=C(C=C2)C#N)C(=NC1)C3=CC=CC=C3F)(C(=O)O)C(=O)O
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Product OPENEYE NAME: ethyl 8-chloro-5-(2-fluorophenyl)-1-methyl-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CAS Name: 8-chloro-5-(2-fluorophenyl)-1-methyl-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 8-chloro-5-(2-fluorophenyl)-1-methyl-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SYSTEMATIC NAME: ethyl 8-chloranyl-5-(2-fluorophenyl)-1-methyl-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
MOLECULAR FORMULA: C21H19ClFN3O2
MOLECULAR WEIGHT: 399.845863
SMILES: CCOC(=O)C1=C2CN(CC3=C(N2C(=N1)C)C=CC(=C3)Cl)C4=CC=CC=C4F
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Product OPENEYE NAME: 3-ethyl-1-methyl-4-phenyl-6,7-dihydro-2H-pyrazolo[3,4-e][1,4]diazepine
CAS Name: 3-ethyl-1-methyl-4-phenyl-6,7-dihydro-2H-pyrazolo[3,4-e][1,4]diazepine
IUPAC NAME: 3-ethyl-1-methyl-4-phenyl-6,7-dihydro-2H-pyrazolo[3,4-e][1,4]diazepine
SYSTEMATIC NAME: 3-ethyl-1-methyl-4-phenyl-6,7-dihydro-2H-pyrazolo[3,4-e][1,4]diazepine
MOLECULAR FORMULA: C15H18N4
MOLECULAR WEIGHT: 254.33022
SMILES: CCC1=C2C(=NCCN=C2N(N1)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2Z)-5-(2-fluorophenyl)-4-hydroxy-2-(nitromethylene)-3H-1,4-benzodiazepine
CAS Name: (2Z)-5-(2-fluorophenyl)-4-hydroxy-2-(nitromethylidene)-3H-1,4-benzodiazepine
IUPAC NAME: (2Z)-5-(2-fluorophenyl)-4-hydroxy-2-(nitromethylidene)-3H-1,4-benzodiazepine
SYSTEMATIC NAME: (2Z)-5-(2-fluorophenyl)-2-(nitromethylidene)-4-oxidanyl-3H-1,4-benzodiazepine
MOLECULAR FORMULA: C16H12FN3O3
MOLECULAR WEIGHT: 313.283183
SMILES: C1/C(=C/[N+](=O)[O-])/N=C2C=CC=CC2=C(N1O)C3=CC=CC=C3F
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Product OPENEYE NAME: 7-bromo-N-(nitrosomethyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-amine
CAS Name: 7-bromo-N-(nitrosomethyl)-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-amine
IUPAC NAME: 7-bromo-N-(nitrosomethyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-amine
SYSTEMATIC NAME: 7-bromanyl-N-(nitrosomethyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-amine
MOLECULAR FORMULA: C15H12BrN5O
MOLECULAR WEIGHT: 358.19268
SMILES: C1C(=NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3)NCN=O
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Product OPENEYE NAME: (2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-2-nitroso-acetic acid
CAS Name: (2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-2-nitrosoacetic acid
IUPAC NAME: (2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-2-nitrosoacetic acid
SYSTEMATIC NAME: (2E)-2-[7-chloranyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-2-nitroso-ethanoic acid
MOLECULAR FORMULA: C17H11ClFN3O3
MOLECULAR WEIGHT: 359.738943
SMILES: C1/C(=C(/C(=O)O)\N=O)/NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F
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Product OPENEYE NAME: fumaric acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CAS Name: (E)-2-butenedioic acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
IUPAC NAME: (E)-but-2-enedioic acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-8-nitro-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
MOLECULAR FORMULA: C22H18N4O6
MOLECULAR WEIGHT: 434.40152
SMILES: CC1=NC=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 1-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
CAS Name: 1-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
IUPAC NAME: 1-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
SYSTEMATIC NAME: 1-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
MOLECULAR FORMULA: C18H13N3O2
MOLECULAR WEIGHT: 303.31472
SMILES: C1C2=C(N=C(N2C3=CC=CC=C3C=N1)C4=CC=CC=C4)C(=O)O
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