Friday, February 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-(o-tolyl)isoquinoline
CAS Name: 4-(2-methylphenyl)isoquinoline
IUPAC NAME: 4-(2-methylphenyl)isoquinoline
SYSTEMATIC NAME: 4-(2-methylphenyl)isoquinoline
MOLECULAR FORMULA: C16H13N
MOLECULAR WEIGHT: 219.28112
SMILES: CC1=CC=CC=C1C2=CN=CC3=CC=CC=C32
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Product OPENEYE NAME: 4-(4-methoxyphenyl)isoquinoline
CAS Name: 4-(4-methoxyphenyl)isoquinoline
IUPAC NAME: 4-(4-methoxyphenyl)isoquinoline
SYSTEMATIC NAME: 4-(4-methoxyphenyl)isoquinoline
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: COC1=CC=C(C=C1)C2=CN=CC3=CC=CC=C32
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Product OPENEYE NAME: N-benzhydryl-2-(p-tolyl)quinoline-4-carboxamide
CAS Name: N-(diphenylmethyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
IUPAC NAME: N-benzhydryl-2-(4-methylphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-(diphenylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C30H24N2O
MOLECULAR WEIGHT: 428.52436
SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: methyl 2-[(2,5-dichlorobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
CAS Name: 2-[[(2,5-dichlorophenyl)-oxomethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(2,5-dichlorobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C19H12Cl2FNO3S
MOLECULAR WEIGHT: 424.272883
SMILES: COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3=C(C=CC(=C3)Cl)Cl
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Product OPENEYE NAME: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CAS Name: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C16H15N3O4S2
MOLECULAR WEIGHT: 377.438
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: methyl 2-(3,3-diphenylpropanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate
CAS Name: 4-(4-fluorophenyl)-2-[(1-oxo-3,3-diphenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-(3,3-diphenylpropanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-(3,3-diphenylpropanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C27H22FNO3S
MOLECULAR WEIGHT: 459.531883
SMILES: COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-2,6-dimethoxy-benzamide
CAS Name: N-[2-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]ethyl]-2,6-dimethoxybenzamide
IUPAC NAME: N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
SYSTEMATIC NAME: N-[2-[(2,6-dimethoxyphenyl)carbonylamino]ethyl]-2,6-dimethoxy-benzamide
MOLECULAR FORMULA: C20H24N2O6
MOLECULAR WEIGHT: 388.41436
SMILES: COC1=C(C(=CC=C1)OC)C(=O)NCCNC(=O)C2=C(C=CC=C2OC)OC
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Product OPENEYE NAME: N-[8-(nonanoylamino)octyl]nonanamide
CAS Name: N-[8-(1-oxononylamino)octyl]nonanamide
IUPAC NAME: N-[8-(nonanoylamino)octyl]nonanamide
SYSTEMATIC NAME: N-[8-(nonanoylamino)octyl]nonanamide
MOLECULAR FORMULA: C26H52N2O2
MOLECULAR WEIGHT: 424.70328
SMILES: CCCCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCCCC
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Product OPENEYE NAME: 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]phenoxy]phenyl]benzamide
CAS Name: 2-ethoxy-N-[4-[4-[[(2-ethoxyphenyl)-oxomethyl]amino]phenoxy]phenyl]benzamide
IUPAC NAME: 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]phenoxy]phenyl]benzamide
SYSTEMATIC NAME: 2-ethoxy-N-[4-[4-[(2-ethoxyphenyl)carbonylamino]phenoxy]phenyl]benzamide
MOLECULAR FORMULA: C30H28N2O5
MOLECULAR WEIGHT: 496.55372
SMILES: CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OCC
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Product OPENEYE NAME: N2,N6-bis(4-pyridylmethyl)pyridine-2,6-dicarboxamide
CAS Name: N2,N6-bis(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
IUPAC NAME: 2-N,6-N-bis(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
SYSTEMATIC NAME: N2,N6-bis(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
MOLECULAR FORMULA: C19H17N5O2
MOLECULAR WEIGHT: 347.37058
SMILES: C1=CC(=NC(=C1)C(=O)NCC2=CC=NC=C2)C(=O)NCC3=CC=NC=C3
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Product OPENEYE NAME: 2-(4-methoxy-N-methylsulfonyl-anilino)-N-[[4-(thietan-3-yloxy)phenyl]methyleneamino]propanamide
CAS Name: 2-(4-methoxy-N-methylsulfonylanilino)-N-[[4-(3-thietanyloxy)phenyl]methylideneamino]propanamide
IUPAC NAME: 2-(4-methoxy-N-methylsulfonylanilino)-N-[[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-[[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide
MOLECULAR FORMULA: C21H25N3O5S2
MOLECULAR WEIGHT: 463.5703
SMILES: CC(C(=O)NN=CC1=CC=C(C=C1)OC2CSC2)N(C3=CC=C(C=C3)OC)S(=O)(=O)C
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Product OPENEYE NAME: N-(3-cyano-4,5-diphenyl-2-furyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide
CAS Name: N-(3-cyano-4,5-diphenyl-2-furanyl)-2-(1,3-dioxo-2-isoindolyl)-4-methylpentanamide
IUPAC NAME: N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-cyano-4,5-diphenyl-furan-2-yl)-4-methyl-pentanamide
MOLECULAR FORMULA: C31H25N3O4
MOLECULAR WEIGHT: 503.5479
SMILES: CC(C)CC(C(=O)NC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)N4C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propanenitrile
CAS Name: 3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropanenitrile
IUPAC NAME: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
SYSTEMATIC NAME: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C15H19N3O
MOLECULAR WEIGHT: 257.33086
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC#N)C
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Product OPENEYE NAME: N-[(5-ethyl-2-thienyl)methyleneamino]-4-methyl-benzamide
CAS Name: N-[(5-ethyl-2-thiophenyl)methylideneamino]-4-methylbenzamide
IUPAC NAME: N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
SYSTEMATIC NAME: N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methyl-benzamide
MOLECULAR FORMULA: C15H16N2OS
MOLECULAR WEIGHT: 272.36534
SMILES: CCC1=CC=C(S1)C=NNC(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-[(2-methylcyclohexylidene)amino]cyclohexanecarboxamide
CAS Name: N-[(2-methylcyclohexylidene)amino]cyclohexanecarboxamide
IUPAC NAME: N-[(2-methylcyclohexylidene)amino]cyclohexanecarboxamide
SYSTEMATIC NAME: N-[(2-methylcyclohexylidene)amino]cyclohexanecarboxamide
MOLECULAR FORMULA: C14H24N2O
MOLECULAR WEIGHT: 236.35316
SMILES: CC1CCCCC1=NNC(=O)C2CCCCC2
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Product OPENEYE NAME: 2-(2,4-dichlorophenoxy)-N-[1-(3-methoxyphenyl)ethylideneamino]propanamide
CAS Name: 2-(2,4-dichlorophenoxy)-N-[1-(3-methoxyphenyl)ethylideneamino]propanamide
IUPAC NAME: 2-(2,4-dichlorophenoxy)-N-[1-(3-methoxyphenyl)ethylideneamino]propanamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[1-(3-methoxyphenyl)ethylideneamino]propanamide
MOLECULAR FORMULA: C18H18Cl2N2O3
MOLECULAR WEIGHT: 381.25312
SMILES: CC(C(=O)NN=C(C)C1=CC(=CC=C1)OC)OC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: ethyl 5-carbamoyl-2-[[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylate
CAS Name: 5-carbamoyl-2-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-carbamoyl-2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-aminocarbonyl-2-[[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C20H17Cl2N3O5S
MOLECULAR WEIGHT: 482.33708
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C
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Product OPENEYE NAME: 4-chloro-N-propyl-butanamide
CAS Name: 4-chloro-N-propylbutanamide
IUPAC NAME: 4-chloro-N-propylbutanamide
SYSTEMATIC NAME: 4-chloranyl-N-propyl-butanamide
MOLECULAR FORMULA: C7H14ClNO
MOLECULAR WEIGHT: 163.64516
SMILES: CCCNC(=O)CCCCl
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Product OPENEYE NAME: isopropyl 2-[(3,5-dimethoxybenzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate
CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-[(3,5-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-[(3,5-dimethoxyphenyl)carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C20H25NO5S
MOLECULAR WEIGHT: 391.4812
SMILES: CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC)C
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Product OPENEYE NAME: 2-(2-chlorophenyl)-N-[6-[[2-(2-chlorophenyl)acetyl]amino]-2-pyridyl]acetamide
CAS Name: 2-(2-chlorophenyl)-N-[6-[[2-(2-chlorophenyl)-1-oxoethyl]amino]-2-pyridinyl]acetamide
IUPAC NAME: 2-(2-chlorophenyl)-N-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridin-2-yl]acetamide
SYSTEMATIC NAME: 2-(2-chlorophenyl)-N-[6-[2-(2-chlorophenyl)ethanoylamino]pyridin-2-yl]ethanamide
MOLECULAR FORMULA: C21H17Cl2N3O2
MOLECULAR WEIGHT: 414.28458
SMILES: C1=CC=C(C(=C1)CC(=O)NC2=NC(=CC=C2)NC(=O)CC3=CC=CC=C3Cl)Cl
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Product OPENEYE NAME: sodium 4-[(4-methoxyphenyl)methyleneamino]benzenesulfonate
CAS Name: sodium 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonate
IUPAC NAME: sodium 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonate
SYSTEMATIC NAME: sodium 4-[(4-methoxyphenyl)methylideneamino]benzenesulfonate
MOLECULAR FORMULA: C14H12NNaO4S
MOLECULAR WEIGHT: 313.30415
SMILES: COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-piperidyl)propan-1-one
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-piperidinyl)-1-propanone
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylpropan-1-one
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-yl-propan-1-one
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC(C(=O)C1=CC2=C(C=C1)OCCO2)N3CCCCC3
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Product OPENEYE NAME: N-(3,5-dichlorophenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
CAS Name: N-(3,5-dichlorophenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
IUPAC NAME: N-(3,5-dichlorophenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
SYSTEMATIC NAME: N-[3,5-bis(chloranyl)phenyl]-3-methyl-4-oxidanylidene-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
MOLECULAR FORMULA: C19H14Cl2F3N3O2S
MOLECULAR WEIGHT: 476.29957
SMILES: CN1C(=O)CC(SC1=NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
CAS Name: 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-(2-phenylethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate
MOLECULAR FORMULA: C30H29N3O6S
MOLECULAR WEIGHT: 559.63276
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5
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