Thursday, January 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(2,5-dimethylphenyl)-N-methyl-1-oxo-isochromene-4-carboxamide
CAS Name: N-(2,5-dimethylphenyl)-N-methyl-1-oxo-2-benzopyran-4-carboxamide
IUPAC NAME: N-(2,5-dimethylphenyl)-N-methyl-1-oxoisochromene-4-carboxamide
SYSTEMATIC NAME: N-(2,5-dimethylphenyl)-N-methyl-1-oxidanylidene-isochromene-4-carboxamide
MOLECULAR FORMULA: C19H17NO3
MOLECULAR WEIGHT: 307.34318
SMILES: CC1=CC(=C(C=C1)C)N(C)C(=O)C2=COC(=O)C3=CC=CC=C32
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Product OPENEYE NAME: (2,2-dimethyltetrahydropyran-4-yl)-(1-phenylethyl)ammonium
CAS Name: (2,2-dimethyl-4-oxanyl)-(1-phenylethyl)ammonium
IUPAC NAME: (2,2-dimethyloxan-4-yl)-(1-phenylethyl)azanium
SYSTEMATIC NAME: (2,2-dimethyloxan-4-yl)-(1-phenylethyl)azanium
MOLECULAR FORMULA: C15H24NO+
MOLECULAR WEIGHT: 234.35716
SMILES: CC(C1=CC=CC=C1)[NH2+]C2CCOC(C2)(C)C
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Product OPENEYE NAME: N-(2-methoxy-5-methyl-phenyl)-N-methyl-1-oxo-isochromene-4-carboxamide
CAS Name: N-(2-methoxy-5-methylphenyl)-N-methyl-1-oxo-2-benzopyran-4-carboxamide
IUPAC NAME: N-(2-methoxy-5-methylphenyl)-N-methyl-1-oxoisochromene-4-carboxamide
SYSTEMATIC NAME: N-(2-methoxy-5-methyl-phenyl)-N-methyl-1-oxidanylidene-isochromene-4-carboxamide
MOLECULAR FORMULA: C19H17NO4
MOLECULAR WEIGHT: 323.34258
SMILES: CC1=CC(=C(C=C1)OC)N(C)C(=O)C2=COC(=O)C3=CC=CC=C32
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Product OPENEYE NAME: N-(3-chlorophenyl)-N-ethyl-1-oxo-isochromene-4-carboxamide
CAS Name: N-(3-chlorophenyl)-N-ethyl-1-oxo-2-benzopyran-4-carboxamide
IUPAC NAME: N-(3-chlorophenyl)-N-ethyl-1-oxoisochromene-4-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-N-ethyl-1-oxidanylidene-isochromene-4-carboxamide
MOLECULAR FORMULA: C18H14ClNO3
MOLECULAR WEIGHT: 327.76166
SMILES: CCN(C1=CC(=CC=C1)Cl)C(=O)C2=COC(=O)C3=CC=CC=C32
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Product OPENEYE NAME: N-(2-fluorophenyl)-N-methyl-1-oxo-isochromene-4-carboxamide
CAS Name: N-(2-fluorophenyl)-N-methyl-1-oxo-2-benzopyran-4-carboxamide
IUPAC NAME: N-(2-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide
SYSTEMATIC NAME: N-(2-fluorophenyl)-N-methyl-1-oxidanylidene-isochromene-4-carboxamide
MOLECULAR FORMULA: C17H12FNO3
MOLECULAR WEIGHT: 297.280483
SMILES: CN(C1=CC=CC=C1F)C(=O)C2=COC(=O)C3=CC=CC=C32
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Product OPENEYE NAME: N-methyl-1-oxo-N-[3-(trifluoromethyl)phenyl]isochromene-4-carboxamide
CAS Name: N-methyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-2-benzopyran-4-carboxamide
IUPAC NAME: N-methyl-1-oxo-N-[3-(trifluoromethyl)phenyl]isochromene-4-carboxamide
SYSTEMATIC NAME: N-methyl-1-oxidanylidene-N-[3-(trifluoromethyl)phenyl]isochromene-4-carboxamide
MOLECULAR FORMULA: C18H12F3NO3
MOLECULAR WEIGHT: 347.28799
SMILES: CN(C1=CC=CC(=C1)C(F)(F)F)C(=O)C2=COC(=O)C3=CC=CC=C32
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-N-methyl-1-oxo-isochromene-4-carboxamide
CAS Name: N-(3,4-dimethylphenyl)-N-methyl-1-oxo-2-benzopyran-4-carboxamide
IUPAC NAME: N-(3,4-dimethylphenyl)-N-methyl-1-oxoisochromene-4-carboxamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-N-methyl-1-oxidanylidene-isochromene-4-carboxamide
MOLECULAR FORMULA: C19H17NO3
MOLECULAR WEIGHT: 307.34318
SMILES: CC1=C(C=C(C=C1)N(C)C(=O)C2=COC(=O)C3=CC=CC=C32)C
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Product OPENEYE NAME: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-(p-tolyl)methanone
CAS Name: (4-methylphenyl)-[4-(4-nitrophenyl)-1-piperazin-4-iumyl]methanone
IUPAC NAME: (4-methylphenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone
SYSTEMATIC NAME: (4-methylphenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone
MOLECULAR FORMULA: C18H20N3O3+
MOLECULAR WEIGHT: 326.3697
SMILES: CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[3-(trifluoromethyl)phenyl]-3-[3-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylphenyl]urea
CAS Name: 1-[3-[3-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]phenyl]sulfonylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-[3-(trifluoromethyl)phenyl]-3-[3-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylphenyl]urea
SYSTEMATIC NAME: 1-[3-(trifluoromethyl)phenyl]-3-[3-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylphenyl]urea
MOLECULAR FORMULA: C28H20F6N4O4S
MOLECULAR WEIGHT: 622.538219
SMILES: C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)C3=CC=CC(=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-(2-bromoethyl)-3-(3,4-dichlorophenyl)urea
CAS Name: 1-(2-bromoethyl)-3-(3,4-dichlorophenyl)urea
IUPAC NAME: 1-(2-bromoethyl)-3-(3,4-dichlorophenyl)urea
SYSTEMATIC NAME: 1-(2-bromoethyl)-3-(3,4-dichlorophenyl)urea
MOLECULAR FORMULA: C9H9BrCl2N2O
MOLECULAR WEIGHT: 311.99056
SMILES: C1=CC(=C(C=C1NC(=O)NCCBr)Cl)Cl
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Product OPENEYE NAME: N-[3-[(3,4-dichlorophenyl)carbamoylamino]-4-methoxy-phenyl]acetamide
CAS Name: N-[3-[[(3,4-dichloroanilino)-oxomethyl]amino]-4-methoxyphenyl]acetamide
IUPAC NAME: N-[3-[(3,4-dichlorophenyl)carbamoylamino]-4-methoxyphenyl]acetamide
SYSTEMATIC NAME: N-[3-[(3,4-dichlorophenyl)carbamoylamino]-4-methoxy-phenyl]ethanamide
MOLECULAR FORMULA: C16H15Cl2N3O3
MOLECULAR WEIGHT: 368.2146
SMILES: CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-(4-fluorophenyl)-2,6-dimethyl-piperidine-1-carboxamide
CAS Name: N-(4-fluorophenyl)-2,6-dimethyl-1-piperidinecarboxamide
IUPAC NAME: N-(4-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2,6-dimethyl-piperidine-1-carboxamide
MOLECULAR FORMULA: C14H19FN2O
MOLECULAR WEIGHT: 250.311863
SMILES: CC1CCCC(N1C(=O)NC2=CC=C(C=C2)F)C
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Product OPENEYE NAME: N-(1,3-dioxoisoindolin-2-yl)-3-oxo-butanamide
CAS Name: N-(1,3-dioxo-2-isoindolyl)-3-oxobutanamide
IUPAC NAME: N-(1,3-dioxoisoindol-2-yl)-3-oxobutanamide
SYSTEMATIC NAME: N-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C12H10N2O4
MOLECULAR WEIGHT: 246.2188
SMILES: CC(=O)CC(=O)NN1C(=O)C2=CC=CC=C2C1=O
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Product OPENEYE NAME: methyl 4-[7-[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]oxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
CAS Name: 4-[[7-[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propoxy]-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid methyl ester
IUPAC NAME: methyl 4-[7-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]oxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
SYSTEMATIC NAME: methyl 4-[7-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]oxy-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
MOLECULAR FORMULA: C37H27F3N2O9
MOLECULAR WEIGHT: 700.61349
SMILES: COC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6)C(F)(F)F
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Product OPENEYE NAME: [4-[4-[[4-(3-hydroxy-1-adamantyl)phenyl]iminomethyl]phenyl]phenyl] acetate
CAS Name: acetic acid [4-[4-[[4-(3-hydroxy-1-adamantyl)phenyl]iminomethyl]phenyl]phenyl] ester
IUPAC NAME: [4-[4-[[4-(3-hydroxy-1-adamantyl)phenyl]iminomethyl]phenyl]phenyl] acetate
SYSTEMATIC NAME: [4-[4-[[4-(3-oxidanyl-1-adamantyl)phenyl]iminomethyl]phenyl]phenyl] ethanoate
MOLECULAR FORMULA: C31H31NO3
MOLECULAR WEIGHT: 465.58274
SMILES: CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C=NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)(C5)O
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