Tuesday, January 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1S)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C15H13N3O3S
MOLECULAR WEIGHT: 315.34702
SMILES: C[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-methyl-2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[1-(1-naphthalenyl)ethylamino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C20H20N2O3
MOLECULAR WEIGHT: 336.3844
SMILES: C[C@@H](C(=O)NC(C)C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C22H28N2O3S
MOLECULAR WEIGHT: 400.53432
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC(C)C3=C(C=CC(=C3)C)C
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Product OPENEYE NAME: N-[(1S)-1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-methyl-propyl]-2-fluoro-benzamide
CAS Name: N-[(2S)-1-[2-(1-cyclohexenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C20H27FN2O2
MOLECULAR WEIGHT: 346.438983
SMILES: CC(C)[C@@H](C(=O)NCCC1=CCCCC1)NC(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: 4-bromo-N-[(1S)-2-methyl-1-[4-(2-methylpropanoyl)piperazine-1-carbonyl]propyl]benzenesulfonamide
CAS Name: 4-bromo-N-[(2S)-3-methyl-1-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-oxobutan-2-yl]benzenesulfonamide
IUPAC NAME: 4-bromo-N-[(2S)-3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-bromanyl-N-[(2S)-3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C19H28BrN3O4S
MOLECULAR WEIGHT: 474.41232
SMILES: CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: N-[(1S,2S)-1-[1-(2-fluorophenyl)ethylcarbamoyl]-2-methyl-butyl]benzamide
CAS Name: N-[(2S,3S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C21H25FN2O2
MOLECULAR WEIGHT: 356.433803
SMILES: CC[C@H](C)[C@@H](C(=O)NC(C)C1=CC=CC=C1F)NC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-[(1S)-1-[1-(2-fluorophenyl)ethylcarbamoyl]-2-methyl-propyl]-4-methoxy-benzamide
CAS Name: N-[(2S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
IUPAC NAME: N-[(2S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SYSTEMATIC NAME: N-[(2S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide
MOLECULAR FORMULA: C21H25FN2O3
MOLECULAR WEIGHT: 372.433203
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=CC=CC=C1F)NC(=O)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-[(1S)-1-[1-(2-fluorophenyl)ethylcarbamoyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide
CAS Name: N-[(2S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
IUPAC NAME: N-[(2S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SYSTEMATIC NAME: N-[(2S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide
MOLECULAR FORMULA: C22H27FN2O4
MOLECULAR WEIGHT: 402.459183
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=CC=CC=C1F)NC(=O)C2=CC(=CC(=C2)OC)OC
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Product OPENEYE NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[1-(2-fluorophenyl)ethyl]-3-methyl-butanamide
CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[1-(2-fluorophenyl)ethyl]-3-methylbutanamide
IUPAC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[1-(2-fluorophenyl)ethyl]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[1-(2-fluorophenyl)ethyl]-3-methyl-butanamide
MOLECULAR FORMULA: C19H22BrFN2O3S
MOLECULAR WEIGHT: 457.356983
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=CC=CC=C1F)NS(=O)(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: 2-fluoro-N-[(1S)-1-[2-furylmethyl(methyl)carbamoyl]-2-methyl-propyl]benzamide
CAS Name: 2-fluoro-N-[(2S)-1-[2-furanylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 2-fluoro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C18H21FN2O3
MOLECULAR WEIGHT: 332.369343
SMILES: CC(C)[C@@H](C(=O)N(C)CC1=CC=CO1)NC(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: N-[(1S,2S)-1-[2-furylmethyl(methyl)carbamoyl]-2-methyl-butyl]benzamide
CAS Name: N-[(2S,3S)-1-[2-furanylmethyl(methyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-1-[furan-2-ylmethyl(methyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-1-[furan-2-ylmethyl(methyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: CC[C@H](C)[C@@H](C(=O)N(C)CC1=CC=CO1)NC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 3-(diethylsulfamoyl)-N-[(1S)-1-[2-furylmethyl(methyl)carbamoyl]-2-methyl-propyl]benzamide
CAS Name: 3-(diethylsulfamoyl)-N-[(2S)-1-[2-furanylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 3-(diethylsulfamoyl)-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 3-(diethylsulfamoyl)-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C22H31N3O5S
MOLECULAR WEIGHT: 449.56364
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)N(C)CC2=CC=CO2
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Product OPENEYE NAME: N-[(1S)-1-[1-(2-fluorophenyl)ethylcarbamoyl]-2-methyl-propyl]-2-methyl-benzamide
CAS Name: N-[(2S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
IUPAC NAME: N-[(2S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SYSTEMATIC NAME: N-[(2S)-1-[1-(2-fluorophenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide
MOLECULAR FORMULA: C21H25FN2O2
MOLECULAR WEIGHT: 356.433803
SMILES: CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC(C)C2=CC=CC=C2F
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Product OPENEYE NAME: 2-chloro-N-[(1S)-1-[1-(3,4-difluorophenyl)ethylcarbamoyl]-2-methyl-propyl]benzamide
CAS Name: 2-chloro-N-[(2S)-1-[1-(3,4-difluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[(2S)-1-[1-(3,4-difluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S)-1-[1-[3,4-bis(fluoranyl)phenyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-benzamide
MOLECULAR FORMULA: C20H21ClF2N2O2
MOLECULAR WEIGHT: 394.842746
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=CC(=C(C=C1)F)F)NC(=O)C2=CC=CC=C2Cl
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Product OPENEYE NAME: (2S)-N-[3-(ethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-N-[3-(ethylcarbamoyl)phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-N-[3-(ethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[3-(ethylcarbamoyl)phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C19H21N3O3S
MOLECULAR WEIGHT: 371.45334
SMILES: CCNC(=O)C1=CC(=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3
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Product OPENEYE NAME: N-ethyl-3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]benzamide
CAS Name: N-ethyl-3-[[(2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]benzamide
IUPAC NAME: N-ethyl-3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
SYSTEMATIC NAME: N-ethyl-3-[[(2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]benzamide
MOLECULAR FORMULA: C21H24FN3O3
MOLECULAR WEIGHT: 385.431963
SMILES: CCNC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)F
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Product OPENEYE NAME: (2S)-N-[3-(ethylcarbamoyl)phenyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-N-[3-(ethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-N-[3-(ethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[3-(ethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C21H25N3O4S
MOLECULAR WEIGHT: 415.5059
SMILES: CCNC(=O)C1=CC(=CC=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methanone
CAS Name: [4-[(2-fluorophenyl)methyl]-1-piperazinyl]-[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methanone
IUPAC NAME: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
SYSTEMATIC NAME: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
MOLECULAR FORMULA: C23H28FN3O3S
MOLECULAR WEIGHT: 445.550123
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCN(CC3)CC4=CC=CC=C4F
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Product OPENEYE NAME: N-[(1S)-1-(benzamidocarbamoyl)-2-methyl-propyl]-2-chloro-benzamide
CAS Name: N-[(2S)-1-(benzoylhydrazo)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
IUPAC NAME: N-[(2S)-1-(2-benzoylhydrazinyl)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]butan-2-yl]benzamide
MOLECULAR FORMULA: C19H20ClN3O3
MOLECULAR WEIGHT: 373.8334
SMILES: CC(C)[C@@H](C(=O)NNC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl
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Product OPENEYE NAME: N-[(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C17H17N3O3S
MOLECULAR WEIGHT: 343.40018
SMILES: CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(p-tolylsulfonylamino)butanamide
CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
IUPAC NAME: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SYSTEMATIC NAME: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
MOLECULAR FORMULA: C19H21N3O3S2
MOLECULAR WEIGHT: 403.51834
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: (2S)-N'-benzoyl-1-(p-tolylsulfonyl)pyrrolidine-2-carbohydrazide
CAS Name: (2S)-N'-benzoyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarbohydrazide
IUPAC NAME: (2S)-N'-benzoyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbohydrazide
SYSTEMATIC NAME: (2S)-1-(4-methylphenyl)sulfonyl-N'-(phenylcarbonyl)pyrrolidine-2-carbohydrazide
MOLECULAR FORMULA: C19H21N3O4S
MOLECULAR WEIGHT: 387.45274
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1S)-1-(benzamidocarbamoyl)-2-methyl-propyl]-3,5-dimethoxy-benzamide
CAS Name: N-[(2S)-1-(benzoylhydrazo)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
IUPAC NAME: N-[(2S)-1-(2-benzoylhydrazinyl)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SYSTEMATIC NAME: 3,5-dimethoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]butan-2-yl]benzamide
MOLECULAR FORMULA: C21H25N3O5
MOLECULAR WEIGHT: 399.4403
SMILES: CC(C)[C@@H](C(=O)NNC(=O)C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)OC)OC
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