Saturday, January 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(4-acetylpiperazin-1-yl)-4-(1,3-benzothiazol-2-yl)butan-1-one
CAS Name: 1-(4-acetyl-1-piperazinyl)-4-(1,3-benzothiazol-2-yl)-1-butanone
IUPAC NAME: 1-(4-acetylpiperazin-1-yl)-4-(1,3-benzothiazol-2-yl)butan-1-one
SYSTEMATIC NAME: 4-(1,3-benzothiazol-2-yl)-1-(4-ethanoylpiperazin-1-yl)butan-1-one
MOLECULAR FORMULA: C17H21N3O2S
MOLECULAR WEIGHT: 331.43254
SMILES: CC(=O)N1CCN(CC1)C(=O)CCCC2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 2-(3,4-dichlorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CAS Name: 2-(3,4-dichlorophenyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
IUPAC NAME: 2-(3,4-dichlorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide
MOLECULAR FORMULA: C15H18Cl2N2O2
MOLECULAR WEIGHT: 329.22162
SMILES: C1CC(=O)N(C1)CCCNC(=O)CC2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-tert-butyl-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide
CAS Name: N-tert-butyl-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide
IUPAC NAME: N-tert-butyl-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
SYSTEMATIC NAME: N-tert-butyl-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide
MOLECULAR FORMULA: C15H23N5O3
MOLECULAR WEIGHT: 321.37482
SMILES: CC(C)(C)NC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C
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Product OPENEYE NAME: N-tert-butyl-2-[4-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]acetamide
CAS Name: N-tert-butyl-2-[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl]acetamide
IUPAC NAME: N-tert-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SYSTEMATIC NAME: N-tert-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamide
MOLECULAR FORMULA: C18H24N2O3
MOLECULAR WEIGHT: 316.39476
SMILES: CC1=C(C(=NO1)C)COC2=CC=C(C=C2)CC(=O)NC(C)(C)C
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Product OPENEYE NAME: N-(3-acetamidophenyl)-1-methyl-pyrrole-2-carboxamide
CAS Name: N-(3-acetamidophenyl)-1-methyl-2-pyrrolecarboxamide
IUPAC NAME: N-(3-acetamidophenyl)-1-methylpyrrole-2-carboxamide
SYSTEMATIC NAME: N-(3-acetamidophenyl)-1-methyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C14H15N3O2
MOLECULAR WEIGHT: 257.2878
SMILES: CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CN2C
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Product OPENEYE NAME: N-[1-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C16H15N3O3S
MOLECULAR WEIGHT: 329.3736
SMILES: CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: 2-imidazo[2,1-b]thiazol-6-yl-N-[4-(2-thienyl)thiazol-2-yl]acetamide
CAS Name: 2-(6-imidazo[2,1-b]thiazolyl)-N-(4-thiophen-2-yl-2-thiazolyl)acetamide
IUPAC NAME: 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C14H10N4OS3
MOLECULAR WEIGHT: 346.4504
SMILES: C1=CSC(=C1)C2=CSC(=N2)NC(=O)CC3=CN4C=CSC4=N3
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Product OPENEYE NAME: 5-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide
CAS Name: 5-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-pyridinecarboxamide
IUPAC NAME: 5-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide
MOLECULAR FORMULA: C14H10BrN3OS
MOLECULAR WEIGHT: 348.2177
SMILES: C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CN=C3)Br
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Product OPENEYE NAME: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-pyrazine-2-carboxamide
CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-2-pyrazinecarboxamide
IUPAC NAME: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methylpyrazine-2-carboxamide
SYSTEMATIC NAME: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-pyrazine-2-carboxamide
MOLECULAR FORMULA: C14H12N4OS
MOLECULAR WEIGHT: 284.33628
SMILES: CC1=NC=C(N=C1)C(=O)NC2=C(C3=C(S2)CCC3)C#N
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Product OPENEYE NAME: N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
IUPAC NAME: N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide
MOLECULAR FORMULA: C18H22N4O3
MOLECULAR WEIGHT: 342.39228
SMILES: C1CCC(C1)N2C(=CC=N2)NC(=O)CN3C(=O)C4CC=CCC4C3=O
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Product OPENEYE NAME: 5-bromo-N-(2-cyclopentylpyrazol-3-yl)pyridine-3-carboxamide
CAS Name: 5-bromo-N-(2-cyclopentyl-3-pyrazolyl)-3-pyridinecarboxamide
IUPAC NAME: 5-bromo-N-(2-cyclopentylpyrazol-3-yl)pyridine-3-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-(2-cyclopentylpyrazol-3-yl)pyridine-3-carboxamide
MOLECULAR FORMULA: C14H15BrN4O
MOLECULAR WEIGHT: 335.1991
SMILES: C1CCC(C1)N2C(=CC=N2)NC(=O)C3=CC(=CN=C3)Br
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Product OPENEYE NAME: 2,3-dioxo-N-(8-quinolyl)-1,4-dihydroquinoxaline-6-carboxamide
CAS Name: 2,3-dioxo-N-(8-quinolinyl)-1,4-dihydroquinoxaline-6-carboxamide
IUPAC NAME: 2,3-dioxo-N-quinolin-8-yl-1,4-dihydroquinoxaline-6-carboxamide
SYSTEMATIC NAME: 2,3-bis(oxidanylidene)-N-quinolin-8-yl-1,4-dihydroquinoxaline-6-carboxamide
MOLECULAR FORMULA: C18H12N4O3
MOLECULAR WEIGHT: 332.31288
SMILES: C1=CC2=C(C(=C1)NC(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4)N=CC=C2
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Product OPENEYE NAME: methyl 4-[2-(3-fluorophenyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CAS Name: 4-[2-(3-fluorophenyl)-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[2-(3-fluorophenyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
SYSTEMATIC NAME: methyl 4-[2-(3-fluorophenyl)ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
MOLECULAR FORMULA: C18H16FNO4
MOLECULAR WEIGHT: 329.322343
SMILES: COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: methyl 4-[2-(2-methoxyphenyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CAS Name: 4-[2-(2-methoxyphenyl)-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[2-(2-methoxyphenyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
SYSTEMATIC NAME: methyl 4-[2-(2-methoxyphenyl)ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
MOLECULAR FORMULA: C19H19NO5
MOLECULAR WEIGHT: 341.35786
SMILES: COC1=CC=CC=C1CC(=O)N2CC(OC3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: methyl 4-(cyclohex-3-ene-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CAS Name: 4-[1-cyclohex-3-enyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester
IUPAC NAME: methyl 4-(cyclohex-3-ene-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
SYSTEMATIC NAME: methyl 4-cyclohex-3-en-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3CCC=CC3
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