Saturday, September 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-[2-(dimethylamino)-6-(7-fluoro-1-isopentyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl)cyclohexa-1,5-dien-1-yl]-1-[3-(dimethylamino)phenyl]urea
CAS Name: 1-[2-(dimethylamino)-6-[7-fluoro-1-(3-methylbutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-1-cyclohexa-1,5-dienyl]-1-[3-(dimethylamino)phenyl]urea
IUPAC NAME: 1-[2-(dimethylamino)-6-[7-fluoro-1-(3-methylbutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]cyclohexa-1,5-dien-1-yl]-1-[3-(dimethylamino)phenyl]urea
SYSTEMATIC NAME: 1-[2-(dimethylamino)-6-[7-fluoranyl-1-(3-methylbutyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]cyclohexa-1,5-dien-1-yl]-1-[3-(dimethylamino)phenyl]urea
MOLECULAR FORMULA: C37H43FN6O3
MOLECULAR WEIGHT: 638.774123
SMILES: CC(C)CCN1C2=C(C=C(C=C2)F)N(C(=O)C(C1=O)C3=CCCC(=C3N(C4=CC(=CC=C4)N(C)C)C(=O)N)N(C)C)C5=CC=CC=C5
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Product OPENEYE NAME: 5-(2-fluorophenyl)-1-isopentyl-1,5-benzodiazepine-2,4-dione
CAS Name: 5-(2-fluorophenyl)-1-(3-methylbutyl)-1,5-benzodiazepine-2,4-dione
IUPAC NAME: 5-(2-fluorophenyl)-1-(3-methylbutyl)-1,5-benzodiazepine-2,4-dione
SYSTEMATIC NAME: 5-(2-fluorophenyl)-1-(3-methylbutyl)-1,5-benzodiazepine-2,4-dione
MOLECULAR FORMULA: C20H21FN2O2
MOLECULAR WEIGHT: 340.391343
SMILES: CC(C)CCN1C(=O)CC(=O)N(C2=CC=CC=C21)C3=CC=CC=C3F
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Product OPENEYE NAME: potassium; carbonic acid; 4-chloro-N2-phenyl-benzene-1,2-diamine
CAS Name: potassium; carbonic acid; 4-chloro-N2-phenylbenzene-1,2-diamine
IUPAC NAME: potassium; carbonic acid; 4-chloro-2-N-phenylbenzene-1,2-diamine
SYSTEMATIC NAME: potassium; carbonic acid; 4-chloranyl-N2-phenyl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H13ClKN2O3+
MOLECULAR WEIGHT: 319.80522
SMILES: C1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)N.C(=O)(O)O.[K+]
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Product OPENEYE NAME: sodium; butane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: sodium; butane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: sodium; butane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: sodium; butane; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C19H22N2NaO2+
MOLECULAR WEIGHT: 333.37995
SMILES: CCC[CH2-].C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: 1-(2-adamantyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
CAS Name: 1-(2-adamantyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
IUPAC NAME: 1-(2-adamantyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
SYSTEMATIC NAME: 1-(2-adamantyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
MOLECULAR FORMULA: C25H26N2O2
MOLECULAR WEIGHT: 386.48614
SMILES: C1C2CC3CC1CC(C2)C3N4C(=O)CC(=O)N(C5=CC=CC=C54)C6=CC=CC=C6
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Product OPENEYE NAME: zinc; 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane
CAS Name: zinc; 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane
IUPAC NAME: zinc; 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane
SYSTEMATIC NAME: zinc; 4-azanyl-5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane
MOLECULAR FORMULA: C21H27N3O2Zn+2
MOLECULAR WEIGHT: 418.86698
SMILES: C[CH-]CC(C)C.C1=CC=C(C=C1)C2C(=O)C([N+](=O)C3=CC=CC=C3N2)N.[Zn+2]
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Product OPENEYE NAME: 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: 4-azanyl-5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C15H14N3O2+
MOLECULAR WEIGHT: 268.29056
SMILES: C1=CC=C(C=C1)C2C(=O)C([N+](=O)C3=CC=CC=C3N2)N
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Product OPENEYE NAME: potassium; carbonic acid; 4-fluoro-N1-phenyl-benzene-1,2-diamine
CAS Name: potassium; carbonic acid; 4-fluoro-N1-phenylbenzene-1,2-diamine
IUPAC NAME: potassium; carbonic acid; 4-fluoro-1-N-phenylbenzene-1,2-diamine
SYSTEMATIC NAME: potassium; carbonic acid; 4-fluoranyl-N1-phenyl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H13FKN2O3+
MOLECULAR WEIGHT: 303.350623
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)F)N.C(=O)(O)O.[K+]
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Product OPENEYE NAME: potassium; carbonic acid; 4,5-dichloro-N2-phenyl-benzene-1,2-diamine
CAS Name: potassium; carbonic acid; 4,5-dichloro-N2-phenylbenzene-1,2-diamine
IUPAC NAME: potassium; carbonic acid; 4,5-dichloro-2-N-phenylbenzene-1,2-diamine
SYSTEMATIC NAME: potassium; 4,5-bis(chloranyl)-N2-phenyl-benzene-1,2-diamine; carbonic acid
MOLECULAR FORMULA: C13H12Cl2KN2O3+
MOLECULAR WEIGHT: 354.25028
SMILES: C1=CC=C(C=C1)NC2=CC(=C(C=C2N)Cl)Cl.C(=O)(O)O.[K+]
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Product OPENEYE NAME: 1-(2-cyclopentylethyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-dione
CAS Name: 1-(2-cyclopentylethyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-dione
IUPAC NAME: 1-(2-cyclopentylethyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-dione
SYSTEMATIC NAME: 1-(2-cyclopentylethyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-dione
MOLECULAR FORMULA: C22H23FN2O2
MOLECULAR WEIGHT: 366.428623
SMILES: C1CCC(C1)CCN2C(=O)CC(=O)N(C3=CC=CC=C32)C4=CC=CC=C4F
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Product OPENEYE NAME: [1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]aluminum(2+); 3-carbamimidoyloxybenzoic acid; diiodide
CAS Name: [1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]aluminum(2+); 3-carbamimidoyloxybenzoic acid; diiodide
IUPAC NAME: [1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]aluminum(2+); 3-carbamimidoyloxybenzoic acid; diiodide
SYSTEMATIC NAME: [1-(1-adamantylmethyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]aluminum(2+); 3-carbamimidoyloxybenzoic acid; diiodide
MOLECULAR FORMULA: C34H35AlI2N4O5
MOLECULAR WEIGHT: 860.455978
SMILES: C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)[Al+2])C6=CC=CC=C6.C1=CC(=CC(=C1)OC(=N)N)C(=O)O.[I-].[I-]
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Product OPENEYE NAME: 3-carbamimidoyloxybenzoic acid
CAS Name: 3-carbamimidoyloxybenzoic acid
IUPAC NAME: 3-carbamimidoyloxybenzoic acid
SYSTEMATIC NAME: 3-carbamimidoyloxybenzoic acid
MOLECULAR FORMULA: C8H8N2O3
MOLECULAR WEIGHT: 180.16072
SMILES: C1=CC(=CC(=C1)OC(=N)N)C(=O)O
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Product OPENEYE NAME: [1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]aluminum(2+)
CAS Name: [1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]aluminum(2+)
IUPAC NAME: [1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]aluminum(2+)
SYSTEMATIC NAME: [1-(1-adamantylmethyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]aluminum(2+)
MOLECULAR FORMULA: C26H27AlN2O2+2
MOLECULAR WEIGHT: 426.486318
SMILES: C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)[Al+2])C6=CC=CC=C6
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Product OPENEYE NAME: zinc; 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methanidyladamantane
CAS Name: zinc; 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methanidyladamantane
IUPAC NAME: zinc; 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methanidyladamantane
SYSTEMATIC NAME: zinc; 4-azanyl-5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methanidyladamantane
MOLECULAR FORMULA: C26H31N3O2Zn+2
MOLECULAR WEIGHT: 482.95224
SMILES: [CH2-]C1C2CC3CC(C2)CC1C3.C1=CC=C(C=C1)C2C(=O)C([N+](=O)C3=CC=CC=C3N2)N.[Zn+2]
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Product OPENEYE NAME: [(N-[1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]anilino)sulfanyl-(3-methylsulfanylphenyl)methyl]urea
CAS Name: [[(N-[1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]anilino)thio]-[3-(methylthio)phenyl]methyl]urea
IUPAC NAME: [(N-[1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]anilino)sulfanyl-(3-methylsulfanylphenyl)methyl]urea
SYSTEMATIC NAME: 1-[[[1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]-phenyl-amino]sulfanyl-(3-methylsulfanylphenyl)methyl]urea
MOLECULAR FORMULA: C36H38FN5O3S2
MOLECULAR WEIGHT: 671.847023
SMILES: CC(C)(C)CCN1C2=CC=CC=C2N(C(=O)C(C1=O)N(C3=CC=CC=C3)SC(C4=CC(=CC=C4)SC)NC(=O)N)C5=CC=CC=C5F
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