Thursday, May 9, 2013

All Chemical Compounds Information



Product OPENEYE NAME: ethyl 4-[[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Name: 4-[[[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 3,5-dimethyl-4-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]carbamoyl]-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C23H31N4O4+
MOLECULAR WEIGHT: 427.51664
SMILES: CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)C
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Product OPENEYE NAME: ethyl 4-[[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Name: 4-[[[1-(2-anilino-2-oxoethyl)-4-piperidinyl]amino]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 3,5-dimethyl-4-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]carbamoyl]-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C23H30N4O4
MOLECULAR WEIGHT: 426.5087
SMILES: CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3)C
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Product OPENEYE NAME: (2R)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CAS Name: (2R)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
IUPAC NAME: (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
SYSTEMATIC NAME: (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]propanamide
MOLECULAR FORMULA: C22H28FN4O4S+
MOLECULAR WEIGHT: 463.545523
SMILES: C[C@H](C(=O)NC1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: (2R)-N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CAS Name: (2R)-N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
IUPAC NAME: (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
SYSTEMATIC NAME: (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C22H27FN4O4S
MOLECULAR WEIGHT: 462.537583
SMILES: C[C@H](C(=O)NC1CCN(CC1)CC(=O)NC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [(3R)-1-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-3-piperidyl]-morpholino-methanone
CAS Name: [(3R)-1-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]-oxomethyl]-3-piperidinyl]-(4-morpholinyl)methanone
IUPAC NAME: [(3R)-1-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SYSTEMATIC NAME: [(3R)-1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylpiperidin-3-yl]-morpholin-4-yl-methanone
MOLECULAR FORMULA: C22H23N3O4S
MOLECULAR WEIGHT: 425.50072
SMILES: C1C[C@H](CN(C1)C(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3)C(=O)N5CCOCC5
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Product OPENEYE NAME: [(3S)-1-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-3-piperidyl]-morpholino-methanone
CAS Name: [(3S)-1-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]-oxomethyl]-3-piperidinyl]-(4-morpholinyl)methanone
IUPAC NAME: [(3S)-1-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SYSTEMATIC NAME: [(3S)-1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylpiperidin-3-yl]-morpholin-4-yl-methanone
MOLECULAR FORMULA: C22H23N3O4S
MOLECULAR WEIGHT: 425.50072
SMILES: C1C[C@@H](CN(C1)C(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3)C(=O)N5CCOCC5
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Product OPENEYE NAME: (2R)-2-(4-chloro-2-methyl-phenoxy)-N-[1-(furan-2-carbonyl)-4-piperidyl]propanamide
CAS Name: (2R)-2-(4-chloro-2-methylphenoxy)-N-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]propanamide
IUPAC NAME: (2R)-2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: (2R)-2-(4-chloranyl-2-methyl-phenoxy)-N-[1-(furan-2-ylcarbonyl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C20H23ClN2O4
MOLECULAR WEIGHT: 390.86062
SMILES: CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)NC2CCN(CC2)C(=O)C3=CC=CO3
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Product OPENEYE NAME: (2S)-2-(4-chloro-2-methyl-phenoxy)-N-[1-(furan-2-carbonyl)-4-piperidyl]propanamide
CAS Name: (2S)-2-(4-chloro-2-methylphenoxy)-N-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]propanamide
IUPAC NAME: (2S)-2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: (2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-[1-(furan-2-ylcarbonyl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C20H23ClN2O4
MOLECULAR WEIGHT: 390.86062
SMILES: CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)NC2CCN(CC2)C(=O)C3=CC=CO3
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Product OPENEYE NAME: (5S,7R)-N-[1-(furan-2-carbonyl)-4-piperidyl]-3-hydroxy-adamantane-1-carboxamide
CAS Name: (5S,7R)-N-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]-3-hydroxy-1-adamantanecarboxamide
IUPAC NAME: (5S,7R)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-hydroxyadamantane-1-carboxamide
SYSTEMATIC NAME: (5S,7R)-N-[1-(furan-2-ylcarbonyl)piperidin-4-yl]-3-oxidanyl-adamantane-1-carboxamide
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: C1CN(CCC1NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C(=O)C5=CC=CO5
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