Monday, May 20, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CAS Name: (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [(2R)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] (2R)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate
MOLECULAR FORMULA: C22H18F3N3O6
MOLECULAR WEIGHT: 477.39003
SMILES: C[C@H](C(=O)O[C@H](C)C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)N3C4=CC=CC=C4OC3=O
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CAS Name: (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [(2S)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] (2R)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate
MOLECULAR FORMULA: C22H18F3N3O6
MOLECULAR WEIGHT: 477.39003
SMILES: C[C@H](C(=O)O[C@@H](C)C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)N3C4=CC=CC=C4OC3=O
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CAS Name: (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [(2R)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] (2S)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate
MOLECULAR FORMULA: C22H18F3N3O6
MOLECULAR WEIGHT: 477.39003
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)N3C4=CC=CC=C4OC3=O
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CAS Name: (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [(2S)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] (2S)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate
MOLECULAR FORMULA: C22H18F3N3O6
MOLECULAR WEIGHT: 477.39003
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)N3C4=CC=CC=C4OC3=O
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Product OPENEYE NAME: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
CAS Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thio]propanamide
IUPAC NAME: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
SYSTEMATIC NAME: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
MOLECULAR FORMULA: C19H19F3N4O3S
MOLECULAR WEIGHT: 440.43937
SMILES: C[C@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NN=C3N2C=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
CAS Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thio]propanamide
IUPAC NAME: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
SYSTEMATIC NAME: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
MOLECULAR FORMULA: C19H19F3N4O3S
MOLECULAR WEIGHT: 440.43937
SMILES: C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NN=C3N2C=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thio]propanamide
IUPAC NAME: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
SYSTEMATIC NAME: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
MOLECULAR FORMULA: C20H18F3N5O2S
MOLECULAR WEIGHT: 449.44943
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CCSC3=NN=C4N3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
CAS Name: 3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thio]propanamide
IUPAC NAME: 3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
SYSTEMATIC NAME: 3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
MOLECULAR FORMULA: C10H9F3N4OS
MOLECULAR WEIGHT: 290.26487
SMILES: C1=CC2=NN=C(N2C=C1C(F)(F)F)SCCC(=O)N
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Product OPENEYE NAME: 3-(3-pyridyl)-5-[3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propyl]-1,2,4-oxadiazole
CAS Name: 3-(3-pyridinyl)-5-[3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thio]propyl]-1,2,4-oxadiazole
IUPAC NAME: 3-pyridin-3-yl-5-[3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-pyridin-3-yl-5-[3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C17H13F3N6OS
MOLECULAR WEIGHT: 406.38493
SMILES: C1=CC(=CN=C1)C2=NOC(=N2)CCCSC3=NN=C4N3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 2-(4-ethoxyphenoxy)ethyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid 2-(4-ethoxyphenoxy)ethyl ester
IUPAC NAME: 2-(4-ethoxyphenoxy)ethyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: 2-(4-ethoxyphenoxy)ethyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C19H21N3O4
MOLECULAR WEIGHT: 355.38774
SMILES: CCOC1=CC=C(C=C1)OCCOC(=O)C2=CN=C3C(=C2)C(=NN3C)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C22H25N5O5S
MOLECULAR WEIGHT: 471.5294
SMILES: CC1=NN(C2=NC=C(C=C12)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C22H25N5O5S
MOLECULAR WEIGHT: 471.5294
SMILES: CC1=NN(C2=NC=C(C=C12)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C
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Product OPENEYE NAME: (7-ethyl-2-oxo-chromen-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (7-ethyl-2-oxochromen-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C21H19N3O4
MOLECULAR WEIGHT: 377.39326
SMILES: CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN=C4C(=C3)C(=NN4C)C
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