Friday, June 21, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate
CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SYSTEMATIC NAME: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
MOLECULAR FORMULA: C20H25N5O5
MOLECULAR WEIGHT: 415.443
SMILES: C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)CCC2=NC(=NO2)C3=CC=CC=N3
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Product OPENEYE NAME: [(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate
CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid [(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SYSTEMATIC NAME: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
MOLECULAR FORMULA: C20H25N5O5
MOLECULAR WEIGHT: 415.443
SMILES: C[C@@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)CCC2=NC(=NO2)C3=CC=CC=N3
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Product OPENEYE NAME: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C23H22N4O3
MOLECULAR WEIGHT: 402.44578
SMILES: CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CN=C(C=C3)N4C(=CC(=N4)C)C
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Product OPENEYE NAME: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C21H20N4O5
MOLECULAR WEIGHT: 408.4073
SMILES: CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4)C
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Product OPENEYE NAME: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C25H32N4O3
MOLECULAR WEIGHT: 436.54658
SMILES: CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)N[C@H](C)C34CC5CC(C3)CC(C5)C4)C
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Product OPENEYE NAME: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C25H32N4O3
MOLECULAR WEIGHT: 436.54658
SMILES: CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)N[C@@H](C)C34CC5CC(C3)CC(C5)C4)C
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Product OPENEYE NAME: [5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazol-2-yl]methyl ester
IUPAC NAME: [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C24H20N6O4
MOLECULAR WEIGHT: 456.4534
SMILES: CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC3=NN=C(O3)C4=C(ON=C4C5=CC=CC=C5)C)C
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Product OPENEYE NAME: [2-[2-(dimethylamino)-2-oxo-ethyl]thiazol-4-yl]methyl 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate
CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-[2-(dimethylamino)-2-oxoethyl]-4-thiazolyl]methyl ester
IUPAC NAME: [2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
SYSTEMATIC NAME: [2-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
MOLECULAR FORMULA: C21H20N2O3S2
MOLECULAR WEIGHT: 412.5251
SMILES: CN(C)C(=O)CC1=NC(=CS1)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3
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Product OPENEYE NAME: (3-aminoindazol-1-yl)-(2-phenylphenyl)methanone
CAS Name: (3-amino-1-indazolyl)-(2-phenylphenyl)methanone
IUPAC NAME: (3-aminoindazol-1-yl)-(2-phenylphenyl)methanone
SYSTEMATIC NAME: (3-azanylindazol-1-yl)-(2-phenylphenyl)methanone
MOLECULAR FORMULA: C20H15N3O
MOLECULAR WEIGHT: 313.3526
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N3C4=CC=CC=C4C(=N3)N
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Product OPENEYE NAME: (3-aminoindazol-1-yl)-(2-morpholino-3-pyridyl)methanone
CAS Name: (3-amino-1-indazolyl)-[2-(4-morpholinyl)-3-pyridinyl]methanone
IUPAC NAME: (3-aminoindazol-1-yl)-(2-morpholin-4-ylpyridin-3-yl)methanone
SYSTEMATIC NAME: (3-azanylindazol-1-yl)-(2-morpholin-4-ylpyridin-3-yl)methanone
MOLECULAR FORMULA: C17H17N5O2
MOLECULAR WEIGHT: 323.34918
SMILES: C1COCCN1C2=C(C=CC=N2)C(=O)N3C4=CC=CC=C4C(=N3)N
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Product OPENEYE NAME: N-[4-(3-aminoindazole-1-carbonyl)phenyl]cyclopropanecarboxamide
CAS Name: N-[4-[(3-amino-1-indazolyl)-oxomethyl]phenyl]cyclopropanecarboxamide
IUPAC NAME: N-[4-(3-aminoindazole-1-carbonyl)phenyl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[4-(3-azanylindazol-1-yl)carbonylphenyl]cyclopropanecarboxamide
MOLECULAR FORMULA: C18H16N4O2
MOLECULAR WEIGHT: 320.34524
SMILES: C1CC1C(=O)NC2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4C(=N3)N
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Product OPENEYE NAME: (3-aminoindazol-1-yl)-(4-methoxyphenyl)methanone
CAS Name: (3-amino-1-indazolyl)-(4-methoxyphenyl)methanone
IUPAC NAME: (3-aminoindazol-1-yl)-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: (3-azanylindazol-1-yl)-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C15H13N3O2
MOLECULAR WEIGHT: 267.28262
SMILES: COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=N2)N
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Product OPENEYE NAME: (3-aminoindazol-1-yl)-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methanone
CAS Name: (3-amino-1-indazolyl)-[2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]methanone
IUPAC NAME: (3-aminoindazol-1-yl)-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
SYSTEMATIC NAME: (3-azanylindazol-1-yl)-[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methanone
MOLECULAR FORMULA: C24H22ClN5O3S
MOLECULAR WEIGHT: 495.98118
SMILES: C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)N4C5=CC=CC=C5C(=N4)N
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Product OPENEYE NAME: [5-(3-aminoindazole-1-carbonyl)-2,4-dichloro-phenyl]sulfonyl-(2-fluorophenyl)azanide
CAS Name: [5-[(3-amino-1-indazolyl)-oxomethyl]-2,4-dichlorophenyl]sulfonyl-(2-fluorophenyl)azanide
IUPAC NAME: [5-(3-aminoindazole-1-carbonyl)-2,4-dichlorophenyl]sulfonyl-(2-fluorophenyl)azanide
SYSTEMATIC NAME: [5-(3-azanylindazol-1-yl)carbonyl-2,4-bis(chloranyl)phenyl]sulfonyl-(2-fluorophenyl)azanide
MOLECULAR FORMULA: C20H12Cl2FN4O3S-
MOLECULAR WEIGHT: 478.303683
SMILES: C1=CC=C2C(=C1)C(=NN2C(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)[N-]C4=CC=CC=C4F)N
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Product OPENEYE NAME: 5-(3-aminoindazole-1-carbonyl)-2,4-dichloro-N-(2-fluorophenyl)benzenesulfonamide
CAS Name: 5-[(3-amino-1-indazolyl)-oxomethyl]-2,4-dichloro-N-(2-fluorophenyl)benzenesulfonamide
IUPAC NAME: 5-(3-aminoindazole-1-carbonyl)-2,4-dichloro-N-(2-fluorophenyl)benzenesulfonamide
SYSTEMATIC NAME: 5-(3-azanylindazol-1-yl)carbonyl-2,4-bis(chloranyl)-N-(2-fluorophenyl)benzenesulfonamide
MOLECULAR FORMULA: C20H13Cl2FN4O3S
MOLECULAR WEIGHT: 479.311623
SMILES: C1=CC=C2C(=C1)C(=NN2C(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)NC4=CC=CC=C4F)N
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Product OPENEYE NAME: (3-aminoindazol-1-yl)-(3-fluoro-4-methoxy-phenyl)methanone
CAS Name: (3-amino-1-indazolyl)-(3-fluoro-4-methoxyphenyl)methanone
IUPAC NAME: (3-aminoindazol-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
SYSTEMATIC NAME: (3-azanylindazol-1-yl)-(3-fluoranyl-4-methoxy-phenyl)methanone
MOLECULAR FORMULA: C15H12FN3O2
MOLECULAR WEIGHT: 285.273083
SMILES: COC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3C(=N2)N)F
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Product OPENEYE NAME: [3-(3-aminoindazole-1-carbonyl)-4-chloro-phenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide
CAS Name: [3-[(3-amino-1-indazolyl)-oxomethyl]-4-chlorophenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide
IUPAC NAME: [3-(3-aminoindazole-1-carbonyl)-4-chlorophenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide
SYSTEMATIC NAME: [3-(3-azanylindazol-1-yl)carbonyl-4-chloranyl-phenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide
MOLECULAR FORMULA: C21H13ClF3N4O3S-
MOLECULAR WEIGHT: 493.86613
SMILES: C1=CC=C2C(=C1)C(=NN2C(=O)C3=C(C=CC(=C3)S(=O)(=O)[N-]C4=CC=CC(=C4)C(F)(F)F)Cl)N
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Product OPENEYE NAME: 3-(3-aminoindazole-1-carbonyl)-4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CAS Name: 3-[(3-amino-1-indazolyl)-oxomethyl]-4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
IUPAC NAME: 3-(3-aminoindazole-1-carbonyl)-4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SYSTEMATIC NAME: 3-(3-azanylindazol-1-yl)carbonyl-4-chloranyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C21H14ClF3N4O3S
MOLECULAR WEIGHT: 494.87407
SMILES: C1=CC=C2C(=C1)C(=NN2C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F)Cl)N
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Product OPENEYE NAME: 1-(3-aminoindazol-1-yl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CAS Name: 1-(3-amino-1-indazolyl)-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone
IUPAC NAME: 1-(3-aminoindazol-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SYSTEMATIC NAME: 1-(3-azanylindazol-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
MOLECULAR FORMULA: C16H13N5O2S
MOLECULAR WEIGHT: 339.37172
SMILES: C1=CC=C2C(=C1)C(=NN2C(=O)CCC3=NC(=NO3)C4=CSC=C4)N
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Product OPENEYE NAME: (3-aminoindazol-1-yl)-[4-(4-fluorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate
CAS Name: (3-amino-1-indazolyl)-[4-(4-fluorophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]methanolate
IUPAC NAME: (3-aminoindazol-1-yl)-[4-(4-fluorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate
SYSTEMATIC NAME: (3-azanylindazol-1-yl)-[4-(4-fluorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate
MOLECULAR FORMULA: C20H14FN4O3S-
MOLECULAR WEIGHT: 409.413563
SMILES: C1=CC=C2C(=C1)C(=NN2C(=C3C=CC(=NS(=O)(=O)C4=CC=C(C=C4)F)C=C3)[O-])N
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