Friday, February 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-(2-ethoxyphenyl)-N-isobutyl-propanamide
CAS Name: 3-(2-ethoxyphenyl)-N-(2-methylpropyl)propanamide
IUPAC NAME: 3-(2-ethoxyphenyl)-N-(2-methylpropyl)propanamide
SYSTEMATIC NAME: 3-(2-ethoxyphenyl)-N-(2-methylpropyl)propanamide
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CCOC1=CC=CC=C1CCC(=O)NCC(C)C
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Product OPENEYE NAME: ethyl 1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylate
CAS Name: 1-[3-(4-fluorophenyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C17H22FNO3
MOLECULAR WEIGHT: 307.359883
SMILES: CCOC(=O)C1CCCN(C1)C(=O)CCC2=CC=C(C=C2)F
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Product OPENEYE NAME: N-(2,3-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
CAS Name: N-(2,3-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
IUPAC NAME: N-(2,3-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
SYSTEMATIC NAME: N-[2,3-bis(chloranyl)phenyl]-4-(2H-1,2,3,4-tetrazol-5-yl)benzamide
MOLECULAR FORMULA: C14H9Cl2N5O
MOLECULAR WEIGHT: 334.16016
SMILES: C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C2=CC=C(C=C2)C3=NNN=N3
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Product OPENEYE NAME: 3-acetamido-N-propyl-3-(p-tolyl)propanamide
CAS Name: 3-acetamido-3-(4-methylphenyl)-N-propylpropanamide
IUPAC NAME: 3-acetamido-3-(4-methylphenyl)-N-propylpropanamide
SYSTEMATIC NAME: 3-acetamido-3-(4-methylphenyl)-N-propyl-propanamide
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CCCNC(=O)CC(C1=CC=C(C=C1)C)NC(=O)C
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Product OPENEYE NAME: 3-(2-ethoxyphenyl)-N-propyl-propanamide
CAS Name: 3-(2-ethoxyphenyl)-N-propylpropanamide
IUPAC NAME: 3-(2-ethoxyphenyl)-N-propylpropanamide
SYSTEMATIC NAME: 3-(2-ethoxyphenyl)-N-propyl-propanamide
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CCCNC(=O)CCC1=CC=CC=C1OCC
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Product OPENEYE NAME: 3-acetamido-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridyl)propanamide
CAS Name: 3-acetamido-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide
IUPAC NAME: 3-acetamido-3-(4-methoxyphenyl)-N-(6-methoxypyridin-3-yl)propanamide
SYSTEMATIC NAME: 3-acetamido-3-(4-methoxyphenyl)-N-(6-methoxypyridin-3-yl)propanamide
MOLECULAR FORMULA: C18H21N3O4
MOLECULAR WEIGHT: 343.37704
SMILES: CC(=O)NC(CC(=O)NC1=CN=C(C=C1)OC)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 3-[3-(2-methyl-1-piperidyl)-3-oxo-propyl]-2H-phthalazine-1,4-dione
CAS Name: 3-[3-(2-methyl-1-piperidinyl)-3-oxopropyl]-2H-phthalazine-1,4-dione
IUPAC NAME: 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2H-phthalazine-1,4-dione
SYSTEMATIC NAME: 3-[3-(2-methylpiperidin-1-yl)-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione
MOLECULAR FORMULA: C17H21N3O3
MOLECULAR WEIGHT: 315.36694
SMILES: CC1CCCCN1C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2
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Product OPENEYE NAME: 4-(acetamidomethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CAS Name: 4-(acetamidomethyl)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]benzamide
IUPAC NAME: 4-(acetamidomethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SYSTEMATIC NAME: 4-(acetamidomethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
MOLECULAR FORMULA: C18H24N4O2
MOLECULAR WEIGHT: 328.40876
SMILES: CC1=CC(=NN1CCCNC(=O)C2=CC=C(C=C2)CNC(=O)C)C
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Product OPENEYE NAME: 4-(acetamidomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-benzamide
CAS Name: 4-(acetamidomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
IUPAC NAME: 4-(acetamidomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SYSTEMATIC NAME: 4-(acetamidomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-benzamide
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CC(=O)NCC1=CC=C(C=C1)C(=O)N(C)CC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2H-tetrazol-5-yl)benzamide
IUPAC NAME: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2H-tetrazol-5-yl)benzamide
SYSTEMATIC NAME: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-(2H-1,2,3,4-tetrazol-5-yl)benzamide
MOLECULAR FORMULA: C16H18N6OS
MOLECULAR WEIGHT: 342.41872
SMILES: CN(C)C(CNC(=O)C1=CC=C(C=C1)C2=NNN=N2)C3=CC=CS3
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Product OPENEYE NAME: 5-bromo-N-methyl-N-[2-(methylamino)-2-oxo-ethyl]thiophene-2-carboxamide
CAS Name: 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-thiophenecarboxamide
IUPAC NAME: 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-methyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C9H11BrN2O2S
MOLECULAR WEIGHT: 291.16484
SMILES: CNC(=O)CN(C)C(=O)C1=CC=C(S1)Br
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Product OPENEYE NAME: N-methyl-N-[2-(methylamino)-2-oxo-ethyl]-2-[2-methyl-4-(p-tolyl)thiazol-5-yl]acetamide
CAS Name: N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[2-methyl-4-(4-methylphenyl)-5-thiazolyl]acetamide
IUPAC NAME: N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SYSTEMATIC NAME: N-methyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanamide
MOLECULAR FORMULA: C17H21N3O2S
MOLECULAR WEIGHT: 331.43254
SMILES: CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)N(C)CC(=O)NC
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Product OPENEYE NAME: N-thiochroman-4-yl-1H-indole-3-carboxamide
CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1H-indole-3-carboxamide
IUPAC NAME: N-(3,4-dihydro-2H-thiochromen-4-yl)-1H-indole-3-carboxamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-thiochromen-4-yl)-1H-indole-3-carboxamide
MOLECULAR FORMULA: C18H16N2OS
MOLECULAR WEIGHT: 308.39744
SMILES: C1CSC2=CC=CC=C2C1NC(=O)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: 3-acetamido-3-(4-chlorophenyl)-N-[1-(4-pyridyl)ethyl]propanamide
CAS Name: 3-acetamido-3-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)propanamide
IUPAC NAME: 3-acetamido-3-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)propanamide
SYSTEMATIC NAME: 3-acetamido-3-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)propanamide
MOLECULAR FORMULA: C18H20ClN3O2
MOLECULAR WEIGHT: 345.8233
SMILES: CC(C1=CC=NC=C1)NC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C
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Product OPENEYE NAME: 4-(1,3-dithian-2-yl)-N-[1-(4-pyridyl)ethyl]benzamide
CAS Name: 4-(1,3-dithian-2-yl)-N-(1-pyridin-4-ylethyl)benzamide
IUPAC NAME: 4-(1,3-dithian-2-yl)-N-(1-pyridin-4-ylethyl)benzamide
SYSTEMATIC NAME: 4-(1,3-dithian-2-yl)-N-(1-pyridin-4-ylethyl)benzamide
MOLECULAR FORMULA: C18H20N2OS2
MOLECULAR WEIGHT: 344.4942
SMILES: CC(C1=CC=NC=C1)NC(=O)C2=CC=C(C=C2)C3SCCCS3
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Product OPENEYE NAME: 3-chloro-1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyridin-2-one
CAS Name: 3-chloro-1-(2-methylsulfonylethyl)-5-(trifluoromethyl)-2-pyridinone
IUPAC NAME: 3-chloro-1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyridin-2-one
SYSTEMATIC NAME: 3-chloranyl-1-(2-methylsulfonylethyl)-5-(trifluoromethyl)pyridin-2-one
MOLECULAR FORMULA: C9H9ClF3NO3S
MOLECULAR WEIGHT: 303.68587
SMILES: CS(=O)(=O)CCN1C=C(C=C(C1=O)Cl)C(F)(F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20N4O2S
MOLECULAR WEIGHT: 344.4313
SMILES: CC(C)C(C)(C#N)NC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCC3
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Product OPENEYE NAME: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-tetrahydrofuran-2-one
CAS Name: 5-methyl-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-oxolanone
IUPAC NAME: 5-methyl-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one
SYSTEMATIC NAME: 5-methyl-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one
MOLECULAR FORMULA: C11H15N3O2S
MOLECULAR WEIGHT: 253.3207
SMILES: CC1CC(C(=O)O1)SC2=NN=C(N2CC=C)C
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