Monday, March 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]-N-(2-pyridyl)acetamide
CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-N-(2-pyridinyl)acetamide
IUPAC NAME: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide
SYSTEMATIC NAME: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]-N-pyridin-2-yl-ethanamide
MOLECULAR FORMULA: C24H20ClN3O3
MOLECULAR WEIGHT: 433.8869
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC4=CC=CC=N4
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Product OPENEYE NAME: N-(4-methoxyphenyl)-5-methyl-furan-3-carboxamide
CAS Name: N-(4-methoxyphenyl)-5-methyl-3-furancarboxamide
IUPAC NAME: N-(4-methoxyphenyl)-5-methylfuran-3-carboxamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-5-methyl-furan-3-carboxamide
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CC1=CC(=CO1)C(=O)NC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2S)-2-[(5-methylfuran-2-carbonyl)amino]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-3-phenylpropanoic acid
IUPAC NAME: (2S)-2-[(5-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[(5-methylfuran-2-yl)carbonylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C15H15NO4
MOLECULAR WEIGHT: 273.2839
SMILES: CC1=CC=C(O1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: (2R)-2-[(5-methylfuran-2-carbonyl)amino]-3-phenyl-propanoic acid
CAS Name: (2R)-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-3-phenylpropanoic acid
IUPAC NAME: (2R)-2-[(5-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2R)-2-[(5-methylfuran-2-yl)carbonylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C15H15NO4
MOLECULAR WEIGHT: 273.2839
SMILES: CC1=CC=C(O1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenyl-acetamide
CAS Name: 2-[5-[[(2-methoxyanilino)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
IUPAC NAME: 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H17N5O3S
MOLECULAR WEIGHT: 383.42428
SMILES: COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)CC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 1-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
CAS Name: 1-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
IUPAC NAME: 1-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
SYSTEMATIC NAME: 1-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
MOLECULAR FORMULA: C17H15FN4O3S
MOLECULAR WEIGHT: 374.389403
SMILES: COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F)OC
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Product OPENEYE NAME: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(p-tolylmethylsulfanyl)ethanone
CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-methylphenyl)methylthio]ethanone
IUPAC NAME: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone
SYSTEMATIC NAME: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone
MOLECULAR FORMULA: C22H26N2O3S
MOLECULAR WEIGHT: 398.51844
SMILES: CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 1-[2-(2-chloro-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxamide
CAS Name: 1-[2-(2-chloro-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-(2-chloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-[(2-chlorophenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C15H20ClN3O4S
MOLECULAR WEIGHT: 373.855
SMILES: CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)N)C2=CC=CC=C2Cl
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Product OPENEYE NAME: 1-(2,4-dichlorophenyl)-3-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
CAS Name: 1-(2,4-dichlorophenyl)-3-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
IUPAC NAME: 1-(2,4-dichlorophenyl)-3-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-3-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
MOLECULAR FORMULA: C18H16Cl2N4O3S
MOLECULAR WEIGHT: 439.31564
SMILES: COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl)OC
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Product OPENEYE NAME: ethyl 2-[3-(4-chlorophenyl)-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate
CAS Name: 2-[3-(4-chlorophenyl)-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[3-(4-chlorophenyl)-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate
SYSTEMATIC NAME: ethyl 2-[3-(4-chlorophenyl)-2,5-dimethyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate
MOLECULAR FORMULA: C18H18ClN3O3
MOLECULAR WEIGHT: 359.80682
SMILES: CCOC(=O)CC1=C(N=C2C(=C(NN2C1=O)C)C3=CC=C(C=C3)Cl)C
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Product OPENEYE NAME: 1-(3,4-dichlorophenyl)-3-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]urea
CAS Name: 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
IUPAC NAME: 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
MOLECULAR FORMULA: C14H9Cl2N5OS
MOLECULAR WEIGHT: 366.22516
SMILES: C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)Cl)Cl
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Product OPENEYE NAME: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(m-tolyl)methanesulfonamide
CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(3-methylphenyl)methanesulfonamide
IUPAC NAME: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)methanesulfonamide
SYSTEMATIC NAME: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(3-methylphenyl)methanesulfonamide
MOLECULAR FORMULA: C22H27N3O5S
MOLECULAR WEIGHT: 445.53188
SMILES: CC1=CC(=CC=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C
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Product OPENEYE NAME: 1-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CAS Name: 1-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
IUPAC NAME: 1-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
SYSTEMATIC NAME: 1-[5-[(4-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
MOLECULAR FORMULA: C17H15ClN4O3S
MOLECULAR WEIGHT: 390.844
SMILES: COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: ethyl 1-[2-(4-methoxy-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-methoxy-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H26N2O6S
MOLECULAR WEIGHT: 398.47384
SMILES: CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(morpholinomethyl)phenyl]methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-(4-morpholinylmethyl)phenyl]methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
MOLECULAR FORMULA: C24H29N3O4
MOLECULAR WEIGHT: 423.50476
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CN5CCOCC5
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Product OPENEYE NAME: ethyl 1-[2-(2,5-dimethoxy-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2,5-dimethoxy-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-[(2,5-dimethoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H28N2O7S
MOLECULAR WEIGHT: 428.49982
SMILES: CCOC(=O)C1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-ethyl-N-(p-tolylsulfonyl)anilino]acetamide
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-ethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide
MOLECULAR FORMULA: C25H26N2O5S
MOLECULAR WEIGHT: 466.54934
SMILES: CCC1=CC=CC=C1N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)C
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Product OPENEYE NAME: 1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea
CAS Name: 1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
IUPAC NAME: 1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
SYSTEMATIC NAME: 1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
MOLECULAR FORMULA: C19H20N4O3S
MOLECULAR WEIGHT: 384.4521
SMILES: CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-(p-tolylmethyl)methanesulfonamide
CAS Name: N-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
IUPAC NAME: N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
MOLECULAR FORMULA: C27H31N3O4S
MOLECULAR WEIGHT: 493.61774
SMILES: CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)S(=O)(=O)C
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Product OPENEYE NAME: 1-[2-[4-methoxy-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxamide
CAS Name: 1-[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C22H27N3O5S
MOLECULAR WEIGHT: 445.53188
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)N)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 1-[2-[N-(benzenesulfonyl)-3-chloro-4-methoxy-anilino]acetyl]piperidine-4-carboxamide
CAS Name: 1-[2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-1-oxoethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-[(3-chloranyl-4-methoxy-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C21H24ClN3O5S
MOLECULAR WEIGHT: 465.95036
SMILES: COC1=C(C=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: 1-[2-[N-(benzenesulfonyl)-2-fluoro-anilino]acetyl]piperidine-4-carboxamide
CAS Name: 1-[2-[N-(benzenesulfonyl)-2-fluoroanilino]-1-oxoethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-[(2-fluorophenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C20H22FN3O4S
MOLECULAR WEIGHT: 419.469783
SMILES: C1CN(CCC1C(=O)N)C(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3
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