Thursday, May 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2-bromo-4-cyano-6-ethoxy-phenoxy)-N-cyclopentyl-acetamide
CAS Name: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-cyclopentylacetamide
IUPAC NAME: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-cyclopentylacetamide
SYSTEMATIC NAME: 2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)-N-cyclopentyl-ethanamide
MOLECULAR FORMULA: C16H19BrN2O3
MOLECULAR WEIGHT: 367.23766
SMILES: CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NC2CCCC2
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Product OPENEYE NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclopentyl-propanamide
CAS Name: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclopentylpropanamide
IUPAC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclopentylpropanamide
SYSTEMATIC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclopentyl-propanamide
MOLECULAR FORMULA: C14H23N3O2
MOLECULAR WEIGHT: 265.35132
SMILES: CC(C)(C)C1=NOC(=N1)CCC(=O)NC2CCCC2
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Product OPENEYE NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclooctyl-butanamide
CAS Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclooctylbutanamide
IUPAC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclooctylbutanamide
SYSTEMATIC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclooctyl-butanamide
MOLECULAR FORMULA: C18H31N3O2
MOLECULAR WEIGHT: 321.45764
SMILES: CC(C)(C)C1=NOC(=N1)CCCC(=O)NC2CCCCCCC2
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(5-methyl-2-furyl)thiazol-4-yl]methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(5-methyl-2-furanyl)-4-thiazolyl]methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
MOLECULAR FORMULA: C21H21N3O4S
MOLECULAR WEIGHT: 411.47414
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
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Product OPENEYE NAME: N-(3-fluoro-4-methyl-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CAS Name: N-(3-fluoro-4-methylphenyl)-1-(3-nitrophenyl)-3-pyrazolecarboxamide
IUPAC NAME: N-(3-fluoro-4-methylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SYSTEMATIC NAME: N-(3-fluoranyl-4-methyl-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C17H13FN4O3
MOLECULAR WEIGHT: 340.308523
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])F
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Product OPENEYE NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)acetamide
IUPAC NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-(3-fluoranyl-4-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C15H16FN3O2
MOLECULAR WEIGHT: 289.304843
SMILES: CC1=C(C=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)C)C)F
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Product OPENEYE NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-fluoro-4-methyl-phenyl)propanamide
CAS Name: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-fluoro-4-methylphenyl)propanamide
IUPAC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-fluoro-4-methylphenyl)propanamide
SYSTEMATIC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-fluoranyl-4-methyl-phenyl)propanamide
MOLECULAR FORMULA: C16H20FN3O2
MOLECULAR WEIGHT: 305.347303
SMILES: CC1=C(C=C(C=C1)NC(=O)CCC2=NC(=NO2)C(C)(C)C)F
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Product OPENEYE NAME: N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-2-(5-methyl-2-furyl)thiazole-5-carboxamide
CAS Name: N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-2-(5-methyl-2-furanyl)-5-thiazolecarboxamide
IUPAC NAME: N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C19H20N2O3S
MOLECULAR WEIGHT: 356.4387
SMILES: CC1=CC=C(O1)C2=NC(=C(S2)C(=O)N(C)CC3=CC=C(C=C3)OC)C
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Product OPENEYE NAME: [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-thioxo-3-pyridylidene)methanolate
CAS Name: [4-[(1R)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-(2-sulfanylidene-3-pyridinylidene)methanolate
IUPAC NAME: [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate
SYSTEMATIC NAME: [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate
MOLECULAR FORMULA: C18H19ClN3OS-
MOLECULAR WEIGHT: 360.88096
SMILES: C[C@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=C3C=CC=NC3=S)[O-]
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Product OPENEYE NAME: [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone
CAS Name: [4-[(1R)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
IUPAC NAME: [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
SYSTEMATIC NAME: [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
MOLECULAR FORMULA: C18H20ClN3OS
MOLECULAR WEIGHT: 361.8889
SMILES: C[C@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC=CNC3=S
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Product OPENEYE NAME: [4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-thioxo-3-pyridylidene)methanolate
CAS Name: [4-[(1S)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-(2-sulfanylidene-3-pyridinylidene)methanolate
IUPAC NAME: [4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate
SYSTEMATIC NAME: [4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate
MOLECULAR FORMULA: C18H19ClN3OS-
MOLECULAR WEIGHT: 360.88096
SMILES: C[C@@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=C3C=CC=NC3=S)[O-]
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Product OPENEYE NAME: [4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone
CAS Name: [4-[(1S)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
IUPAC NAME: [4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
SYSTEMATIC NAME: [4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
MOLECULAR FORMULA: C18H20ClN3OS
MOLECULAR WEIGHT: 361.8889
SMILES: C[C@@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC=CNC3=S
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Product OPENEYE NAME: 4-methyl-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(5-methyl-2-furyl)thiazole-5-carboxamide
CAS Name: 4-methyl-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(5-methyl-2-furanyl)-5-thiazolecarboxamide
IUPAC NAME: 4-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 4-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C17H18N4O2S2
MOLECULAR WEIGHT: 374.48042
SMILES: CC1=CC=C(O1)C2=NC(=C(S2)C(=O)NC3=NC4=C(S3)CN(CC4)C)C
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Product OPENEYE NAME: N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(5-methyl-2-furyl)thiazole-4-carboxamide
CAS Name: N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(5-methyl-2-furanyl)-4-thiazolecarboxamide
IUPAC NAME: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C16H16N4O2S2
MOLECULAR WEIGHT: 360.45384
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)NC3=NC4=C(S3)CN(CC4)C
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Product OPENEYE NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)butanamide
CAS Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)butanamide
IUPAC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
SYSTEMATIC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
MOLECULAR FORMULA: C17H25N5O2S
MOLECULAR WEIGHT: 363.4777
SMILES: CC(C)(C)C1=NOC(=N1)CCCC(=O)NC2=NC3=C(S2)CN(CC3)C
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Product OPENEYE NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)propanamide
CAS Name: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)propanamide
IUPAC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SYSTEMATIC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
MOLECULAR FORMULA: C16H23N5O2S
MOLECULAR WEIGHT: 349.45112
SMILES: CC(C)(C)C1=NOC(=N1)CCC(=O)NC2=NC3=C(S2)CN(CC3)C
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Product OPENEYE NAME: N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-3-(p-tolyl)isoxazole-5-carboxamide
CAS Name: N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)-5-isoxazolecarboxamide
IUPAC NAME: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=NC4=C(S3)CN(CC4)C
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Product OPENEYE NAME: 1-[4-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-oxo-butyl]-3-cyclohexyl-urea
CAS Name: 1-[4-[4-[(1R)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-4-oxobutyl]-3-cyclohexylurea
IUPAC NAME: 1-[4-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-oxobutyl]-3-cyclohexylurea
SYSTEMATIC NAME: 1-[4-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-oxidanylidene-butyl]-3-cyclohexyl-urea
MOLECULAR FORMULA: C23H35ClN4O2
MOLECULAR WEIGHT: 435.0026
SMILES: C[C@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)CCCNC(=O)NC3CCCCC3
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Product OPENEYE NAME: 1-[4-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-oxo-butyl]-3-cyclohexyl-urea
CAS Name: 1-[4-[4-[(1S)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-4-oxobutyl]-3-cyclohexylurea
IUPAC NAME: 1-[4-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-oxobutyl]-3-cyclohexylurea
SYSTEMATIC NAME: 1-[4-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-oxidanylidene-butyl]-3-cyclohexyl-urea
MOLECULAR FORMULA: C23H35ClN4O2
MOLECULAR WEIGHT: 435.0026
SMILES: C[C@@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)CCCNC(=O)NC3CCCCC3
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