Tuesday, January 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-(4-acetylpiperazine-1-carbonyl)isochroman-1-one
CAS Name: 3-[(4-acetyl-1-piperazinyl)-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one
IUPAC NAME: 3-(4-acetylpiperazine-1-carbonyl)-3,4-dihydroisochromen-1-one
SYSTEMATIC NAME: 3-(4-ethanoylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one
MOLECULAR FORMULA: C16H18N2O4
MOLECULAR WEIGHT: 302.32512
SMILES: CC(=O)N1CCN(CC1)C(=O)C2CC3=CC=CC=C3C(=O)O2
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Product OPENEYE NAME: N-tert-butyl-2-(2-thienylmethylsulfanyl)acetamide
CAS Name: N-tert-butyl-2-(thiophen-2-ylmethylthio)acetamide
IUPAC NAME: N-tert-butyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
SYSTEMATIC NAME: N-tert-butyl-2-(thiophen-2-ylmethylsulfanyl)ethanamide
MOLECULAR FORMULA: C11H17NOS2
MOLECULAR WEIGHT: 243.38878
SMILES: CC(C)(C)NC(=O)CSCC1=CC=CS1
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Product OPENEYE NAME: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
IUPAC NAME: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
SYSTEMATIC NAME: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
MOLECULAR FORMULA: C19H23FN2O2
MOLECULAR WEIGHT: 330.396523
SMILES: CN(C)C(CNC(=O)C1=CC=C(C=C1)COC)C2=CC(=CC=C2)F
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Product OPENEYE NAME: 3-(3,5-dimethylisoxazol-4-yl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]propanamide
CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]propanamide
IUPAC NAME: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
SYSTEMATIC NAME: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide
MOLECULAR FORMULA: C18H25N3O2S
MOLECULAR WEIGHT: 347.475
SMILES: CC1=C(C(=NO1)C)CCC(=O)NCC(C2=CC=CS2)N3CCCC3
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-ylmethyl)-1-oxo-isochromane-3-carboxamide
CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC NAME: N-(1,3-benzothiazol-2-ylmethyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-ylmethyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide
MOLECULAR FORMULA: C18H14N2O3S
MOLECULAR WEIGHT: 338.38036
SMILES: C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]pyridin-2-one
CAS Name: 1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-pyridinone
IUPAC NAME: 1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one
SYSTEMATIC NAME: 1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]pyridin-2-one
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: CC1CCC2=CC=CC=C2N1C(=O)CN3C=CC=CC3=O
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Product OPENEYE NAME: N-[(4-carbamoylphenyl)methyl]-1-oxo-isochromane-3-carboxamide
CAS Name: N-[(4-carbamoylphenyl)methyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC NAME: N-[(4-carbamoylphenyl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
SYSTEMATIC NAME: N-[(4-aminocarbonylphenyl)methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)C(=O)N
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Product OPENEYE NAME: 2-[3-(2-thienyl)propanoylamino]thiophene-3-carboxamide
CAS Name: 2-[(1-oxo-3-thiophen-2-ylpropyl)amino]-3-thiophenecarboxamide
IUPAC NAME: 2-(3-thiophen-2-ylpropanoylamino)thiophene-3-carboxamide
SYSTEMATIC NAME: 2-(3-thiophen-2-ylpropanoylamino)thiophene-3-carboxamide
MOLECULAR FORMULA: C12H12N2O2S2
MOLECULAR WEIGHT: 280.36588
SMILES: C1=CSC(=C1)CCC(=O)NC2=C(C=CS2)C(=O)N
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Product OPENEYE NAME: (4-acetamidophenyl) 2-(5-acetyl-2-methoxy-phenyl)acetate
CAS Name: 2-(5-acetyl-2-methoxyphenyl)acetic acid (4-acetamidophenyl) ester
IUPAC NAME: (4-acetamidophenyl) 2-(5-acetyl-2-methoxyphenyl)acetate
SYSTEMATIC NAME: (4-acetamidophenyl) 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate
MOLECULAR FORMULA: C19H19NO5
MOLECULAR WEIGHT: 341.35786
SMILES: CC(=O)C1=CC(=C(C=C1)OC)CC(=O)OC2=CC=C(C=C2)NC(=O)C
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Product OPENEYE NAME: N-[4-[(4-methyl-1-piperidyl)methyl]thiazol-2-yl]-2-(2-oxo-1-pyridyl)acetamide
CAS Name: N-[4-[(4-methyl-1-piperidinyl)methyl]-2-thiazolyl]-2-(2-oxo-1-pyridinyl)acetamide
IUPAC NAME: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopyridin-1-yl)acetamide
SYSTEMATIC NAME: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxidanylidenepyridin-1-yl)ethanamide
MOLECULAR FORMULA: C17H22N4O2S
MOLECULAR WEIGHT: 346.44718
SMILES: CC1CCN(CC1)CC2=CSC(=N2)NC(=O)CN3C=CC=CC3=O
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Product OPENEYE NAME: 3-[2-(2-thienyl)pyrrolidine-1-carbonyl]isochroman-1-one
CAS Name: 3-[oxo-(2-thiophen-2-yl-1-pyrrolidinyl)methyl]-3,4-dihydro-1H-2-benzopyran-1-one
IUPAC NAME: 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-3,4-dihydroisochromen-1-one
SYSTEMATIC NAME: 3-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-3,4-dihydroisochromen-1-one
MOLECULAR FORMULA: C18H17NO3S
MOLECULAR WEIGHT: 327.39748
SMILES: C1CC(N(C1)C(=O)C2CC3=CC=CC=C3C(=O)O2)C4=CC=CS4
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Product OPENEYE NAME: 3-(3,5-dimethylisoxazol-4-yl)-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-N-[3-(2-oxo-1-azepanyl)propyl]propanamide
IUPAC NAME: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
SYSTEMATIC NAME: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]propanamide
MOLECULAR FORMULA: C17H27N3O3
MOLECULAR WEIGHT: 321.41458
SMILES: CC1=C(C(=NO1)C)CCC(=O)NCCCN2CCCCCC2=O
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Product OPENEYE NAME: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-triazole-4-carboxamide
CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-2-phenyl-4-triazolecarboxamide
IUPAC NAME: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyltriazole-4-carboxamide
SYSTEMATIC NAME: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenyl-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C18H23N5O2
MOLECULAR WEIGHT: 341.40752
SMILES: C1CCC(=O)N(CC1)CCCNC(=O)C2=NN(N=C2)C3=CC=CC=C3
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