Tuesday, January 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-oxo-N-[2-(2-thienyl)ethyl]isochromane-3-carboxamide
CAS Name: 1-oxo-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC NAME: 1-oxo-N-(2-thiophen-2-ylethyl)-3,4-dihydroisochromene-3-carboxamide
SYSTEMATIC NAME: 1-oxidanylidene-N-(2-thiophen-2-ylethyl)-3,4-dihydroisochromene-3-carboxamide
MOLECULAR FORMULA: C16H15NO3S
MOLECULAR WEIGHT: 301.3602
SMILES: C1C(OC(=O)C2=CC=CC=C21)C(=O)NCCC3=CC=CS3
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Product OPENEYE NAME: 1-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: 1-(2-fluorophenyl)-N-[2-(1-imidazolyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: 1-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: 1-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C16H17FN4O2
MOLECULAR WEIGHT: 316.330183
SMILES: C1C(CN(C1=O)C2=CC=CC=C2F)C(=O)NCCN3C=CN=C3
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Product OPENEYE NAME: N-[2-(2-furyl)ethyl]-1-oxo-isochromane-3-carboxamide
CAS Name: N-[2-(2-furanyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC NAME: N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
SYSTEMATIC NAME: N-[2-(furan-2-yl)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: C1C(OC(=O)C2=CC=CC=C21)C(=O)NCCC3=CC=CO3
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Product OPENEYE NAME: 1-cyclopentyl-5-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxamide
CAS Name: 1-cyclopentyl-5-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-pyrrolidinecarboxamide
IUPAC NAME: 1-cyclopentyl-5-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxamide
SYSTEMATIC NAME: 1-cyclopentyl-5-oxidanylidene-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C18H21N3O4
MOLECULAR WEIGHT: 343.37704
SMILES: C1CCC(C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4
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Product OPENEYE NAME: N-[2-(dimethylamino)-2-phenyl-ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CAS Name: N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
IUPAC NAME: N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)-2-phenyl-ethyl]-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxamide
MOLECULAR FORMULA: C20H25N3O2
MOLECULAR WEIGHT: 339.4314
SMILES: CC1=C(NC2=C1C(=O)CCC2)C(=O)NCC(C3=CC=CC=C3)N(C)C
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Product OPENEYE NAME: 3-methyl-N-(5-methylthiazol-2-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CAS Name: 3-methyl-N-(5-methyl-2-thiazolyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
IUPAC NAME: 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SYSTEMATIC NAME: 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxamide
MOLECULAR FORMULA: C14H15N3O2S
MOLECULAR WEIGHT: 289.3528
SMILES: CC1=CN=C(S1)NC(=O)C2=C(C3=C(N2)CCCC3=O)C
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Product OPENEYE NAME: N-(1,2-dimethylpropyl)-2-(2-thienylmethylsulfanyl)acetamide
CAS Name: N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylthio)acetamide
IUPAC NAME: N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SYSTEMATIC NAME: N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanamide
MOLECULAR FORMULA: C12H19NOS2
MOLECULAR WEIGHT: 257.41536
SMILES: CC(C)C(C)NC(=O)CSCC1=CC=CS1
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Product OPENEYE NAME: 3-(3,5-dimethylisoxazol-4-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide
IUPAC NAME: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
SYSTEMATIC NAME: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
MOLECULAR FORMULA: C15H25N3O2
MOLECULAR WEIGHT: 279.3779
SMILES: CCN1CCCC1CNC(=O)CCC2=C(ON=C2C)C
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Product OPENEYE NAME: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(o-tolyl)acetamide
CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-(2-methylphenyl)acetamide
IUPAC NAME: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methylphenyl)acetamide
SYSTEMATIC NAME: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methylphenyl)ethanamide
MOLECULAR FORMULA: C16H24N2O
MOLECULAR WEIGHT: 260.37456
SMILES: CCN1CCCC1CNC(=O)CC2=CC=CC=C2C
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Product OPENEYE NAME: [4-(tetrazol-1-yl)phenyl] 3-(2-thienyl)propanoate
CAS Name: 3-thiophen-2-ylpropanoic acid [4-(1-tetrazolyl)phenyl] ester
IUPAC NAME: [4-(tetrazol-1-yl)phenyl] 3-thiophen-2-ylpropanoate
SYSTEMATIC NAME: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-thiophen-2-ylpropanoate
MOLECULAR FORMULA: C14H12N4O2S
MOLECULAR WEIGHT: 300.33568
SMILES: C1=CSC(=C1)CCC(=O)OC2=CC=C(C=C2)N3C=NN=N3
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Product OPENEYE NAME: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-2-(2-oxo-1-pyridyl)acetamide
CAS Name: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
IUPAC NAME: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-2-(2-oxopyridin-1-yl)acetamide
SYSTEMATIC NAME: N-[1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]-2-(2-oxidanylidenepyridin-1-yl)ethanamide
MOLECULAR FORMULA: C15H18N4O4
MOLECULAR WEIGHT: 318.32782
SMILES: C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CN3C=CC=CC3=O
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Product OPENEYE NAME: 1-(4-benzyl-1-piperidyl)-3-(3,5-dimethylisoxazol-4-yl)propan-1-one
CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone
IUPAC NAME: 1-(4-benzylpiperidin-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SYSTEMATIC NAME: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CC1=C(C(=NO1)C)CCC(=O)N2CCC(CC2)CC3=CC=CC=C3
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Product OPENEYE NAME: 3-methyl-4-oxo-N-(4-pyridylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
CAS Name: 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
IUPAC NAME: 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
SYSTEMATIC NAME: 3-methyl-4-oxidanylidene-N-(pyridin-4-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: CC1=C(NC2=C1C(=O)CCC2)C(=O)NCC3=CC=NC=C3
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Product OPENEYE NAME: 2-(2-methyl-N-methylsulfonyl-anilino)-N-(3-pyridylmethyl)acetamide
CAS Name: 2-(2-methyl-N-methylsulfonylanilino)-N-(3-pyridinylmethyl)acetamide
IUPAC NAME: 2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[(2-methylphenyl)-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide
MOLECULAR FORMULA: C16H19N3O3S
MOLECULAR WEIGHT: 333.40536
SMILES: CC1=CC=CC=C1N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C
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Product OPENEYE NAME: N-(3-morpholinopropyl)-2-phenyl-triazole-4-carboxamide
CAS Name: N-[3-(4-morpholinyl)propyl]-2-phenyl-4-triazolecarboxamide
IUPAC NAME: N-(3-morpholin-4-ylpropyl)-2-phenyltriazole-4-carboxamide
SYSTEMATIC NAME: N-(3-morpholin-4-ylpropyl)-2-phenyl-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C16H21N5O2
MOLECULAR WEIGHT: 315.37024
SMILES: C1COCCN1CCCNC(=O)C2=NN(N=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 3-(3,5-dimethylisoxazol-4-yl)-N-(3-methoxypropyl)propanamide
CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-N-(3-methoxypropyl)propanamide
IUPAC NAME: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxypropyl)propanamide
SYSTEMATIC NAME: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxypropyl)propanamide
MOLECULAR FORMULA: C12H20N2O3
MOLECULAR WEIGHT: 240.2988
SMILES: CC1=C(C(=NO1)C)CCC(=O)NCCCOC
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Product OPENEYE NAME: N-isopentyl-2-(2-oxo-1-pyridyl)acetamide
CAS Name: N-(3-methylbutyl)-2-(2-oxo-1-pyridinyl)acetamide
IUPAC NAME: N-(3-methylbutyl)-2-(2-oxopyridin-1-yl)acetamide
SYSTEMATIC NAME: N-(3-methylbutyl)-2-(2-oxidanylidenepyridin-1-yl)ethanamide
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC(C)CCNC(=O)CN1C=CC=CC1=O
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Product OPENEYE NAME: N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CAS Name: N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
IUPAC NAME: N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SYSTEMATIC NAME: N,3-dimethyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxamide
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: CC1=C(NC2=C1C(=O)CCC2)C(=O)NC
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Product OPENEYE NAME: N,3-dimethyl-4-oxo-N-(2-phenoxyethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
CAS Name: N,3-dimethyl-4-oxo-N-(2-phenoxyethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
IUPAC NAME: N,3-dimethyl-4-oxo-N-(2-phenoxyethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
SYSTEMATIC NAME: N,3-dimethyl-4-oxidanylidene-N-(2-phenoxyethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CC1=C(NC2=C1C(=O)CCC2)C(=O)N(C)CCOC3=CC=CC=C3
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Product OPENEYE NAME: N-[2-(2-methoxyphenoxy)ethyl]-1-oxo-isochromane-3-carboxamide
CAS Name: N-[2-(2-methoxyphenoxy)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC NAME: N-[2-(2-methoxyphenoxy)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
SYSTEMATIC NAME: N-[2-(2-methoxyphenoxy)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide
MOLECULAR FORMULA: C19H19NO5
MOLECULAR WEIGHT: 341.35786
SMILES: COC1=CC=CC=C1OCCNC(=O)C2CC3=CC=CC=C3C(=O)O2
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Product OPENEYE NAME: ethyl 4-[3-(3,5-dimethylisoxazol-4-yl)propanoyl]piperazine-1-carboxylate
CAS Name: 4-[3-(3,5-dimethyl-4-isoxazolyl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C15H23N3O4
MOLECULAR WEIGHT: 309.36082
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CCC2=C(ON=C2C)C
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Product OPENEYE NAME: N-[2-(4-methoxyphenyl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CAS Name: N-[2-(4-methoxyphenyl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
IUPAC NAME: N-[2-(4-methoxyphenyl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SYSTEMATIC NAME: N-[2-(4-methoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxamide
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CC1=C(NC2=C1C(=O)CCC2)C(=O)NCCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-[2-morpholino-2-(2-thienyl)ethyl]-2-(2-oxo-1-pyridyl)acetamide
CAS Name: N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
IUPAC NAME: N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(2-oxopyridin-1-yl)acetamide
SYSTEMATIC NAME: N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-2-(2-oxidanylidenepyridin-1-yl)ethanamide
MOLECULAR FORMULA: C17H21N3O3S
MOLECULAR WEIGHT: 347.43194
SMILES: C1COCCN1C(CNC(=O)CN2C=CC=CC2=O)C3=CC=CS3
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