Tuesday, January 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3,5-dimethyl-N-[(1-morpholinocyclohexyl)methyl]isoxazole-4-carboxamide
CAS Name: 3,5-dimethyl-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-4-isoxazolecarboxamide
IUPAC NAME: 3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: 3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C17H27N3O3
MOLECULAR WEIGHT: 321.41458
SMILES: CC1=C(C(=NO1)C)C(=O)NCC2(CCCCC2)N3CCOCC3
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Product OPENEYE NAME: N-(3-methyl-1,1-dioxo-thiolan-3-yl)-2-oxo-chromene-3-carboxamide
CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-2-oxo-1-benzopyran-3-carboxamide
IUPAC NAME: N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxochromene-3-carboxamide
SYSTEMATIC NAME: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-2-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C15H15NO5S
MOLECULAR WEIGHT: 321.3483
SMILES: CC1(CCS(=O)(=O)C1)NC(=O)C2=CC3=CC=CC=C3OC2=O
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Product OPENEYE NAME: (E)-N-(3-methyl-1,1-dioxo-thiolan-3-yl)-3-(5-methyl-2-furyl)prop-2-enamide
CAS Name: (E)-N-(3-methyl-1,1-dioxo-3-thiolanyl)-3-(5-methyl-2-furanyl)-2-propenamide
IUPAC NAME: (E)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: CC1=CC=C(O1)/C=C/C(=O)NC2(CCS(=O)(=O)C2)C
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Product OPENEYE NAME: N-tert-butyl-4-ureido-benzamide
CAS Name: N-tert-butyl-4-(carbamoylamino)benzamide
IUPAC NAME: N-tert-butyl-4-(carbamoylamino)benzamide
SYSTEMATIC NAME: 4-(aminocarbonylamino)-N-tert-butyl-benzamide
MOLECULAR FORMULA: C12H17N3O2
MOLECULAR WEIGHT: 235.28228
SMILES: CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)N
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Product OPENEYE NAME: methyl 4-[(2,3-dimethylbenzoyl)amino]butanoate
CAS Name: 4-[[(2,3-dimethylphenyl)-oxomethyl]amino]butanoic acid methyl ester
IUPAC NAME: methyl 4-[(2,3-dimethylbenzoyl)amino]butanoate
SYSTEMATIC NAME: methyl 4-[(2,3-dimethylphenyl)carbonylamino]butanoate
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CC1=CC=CC(=C1C)C(=O)NCCCC(=O)OC
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Product OPENEYE NAME: azocan-1-yl-(4-methylsulfonylphenyl)methanone
CAS Name: 1-azocanyl-(4-methylsulfonylphenyl)methanone
IUPAC NAME: azocan-1-yl-(4-methylsulfonylphenyl)methanone
SYSTEMATIC NAME: azocan-1-yl-(4-methylsulfonylphenyl)methanone
MOLECULAR FORMULA: C15H21NO3S
MOLECULAR WEIGHT: 295.39714
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCCCCC2
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Product OPENEYE NAME: N-(1,1-dimethylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CAS Name: N-(2-methylbutan-2-yl)-2-[3-(trifluoromethyl)-1-pyrazolyl]acetamide
IUPAC NAME: N-(2-methylbutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SYSTEMATIC NAME: N-(2-methylbutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamide
MOLECULAR FORMULA: C11H16F3N3O
MOLECULAR WEIGHT: 263.25945
SMILES: CCC(C)(C)NC(=O)CN1C=CC(=N1)C(F)(F)F
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Product OPENEYE NAME: N-(3-methyl-1,1-dioxo-thiolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-4-oxo-3H-phthalazine-1-carboxamide
IUPAC NAME: N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
SYSTEMATIC NAME: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide
MOLECULAR FORMULA: C14H15N3O4S
MOLECULAR WEIGHT: 321.3516
SMILES: CC1(CCS(=O)(=O)C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32
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Product OPENEYE NAME: 2-(4-fluorophenyl)-N-(3-methyl-1,1-dioxo-thiolan-3-yl)acetamide
CAS Name: 2-(4-fluorophenyl)-N-(3-methyl-1,1-dioxo-3-thiolanyl)acetamide
IUPAC NAME: 2-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SYSTEMATIC NAME: 2-(4-fluorophenyl)-N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]ethanamide
MOLECULAR FORMULA: C13H16FNO3S
MOLECULAR WEIGHT: 285.334443
SMILES: CC1(CCS(=O)(=O)C1)NC(=O)CC2=CC=C(C=C2)F
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Product OPENEYE NAME: N-(3-methyl-1,1-dioxo-thiolan-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
IUPAC NAME: N-(3-methyl-1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
MOLECULAR FORMULA: C15H21NO3S2
MOLECULAR WEIGHT: 327.46214
SMILES: CC1(CCS(=O)(=O)C1)NC(=O)C2=CC3=C(S2)CCCCC3
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Product OPENEYE NAME: (E)-N-(3-methyl-1,1-dioxo-thiolan-3-yl)-3-quinoxalin-2-yl-prop-2-enamide
CAS Name: (E)-N-(3-methyl-1,1-dioxo-3-thiolanyl)-3-(2-quinoxalinyl)-2-propenamide
IUPAC NAME: (E)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-quinoxalin-2-ylprop-2-enamide
SYSTEMATIC NAME: (E)-N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-quinoxalin-2-yl-prop-2-enamide
MOLECULAR FORMULA: C16H17N3O3S
MOLECULAR WEIGHT: 331.38948
SMILES: CC1(CCS(=O)(=O)C1)NC(=O)/C=C/C2=NC3=CC=CC=C3N=C2
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Product OPENEYE NAME: methyl 4-[[2-(4-fluorophenyl)acetyl]amino]butanoate
CAS Name: 4-[[2-(4-fluorophenyl)-1-oxoethyl]amino]butanoic acid methyl ester
IUPAC NAME: methyl 4-[[2-(4-fluorophenyl)acetyl]amino]butanoate
SYSTEMATIC NAME: methyl 4-[2-(4-fluorophenyl)ethanoylamino]butanoate
MOLECULAR FORMULA: C13H16FNO3
MOLECULAR WEIGHT: 253.269443
SMILES: COC(=O)CCCNC(=O)CC1=CC=C(C=C1)F
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Product OPENEYE NAME: 1-piperidyl-[2-(tetrazol-1-yl)phenyl]methanone
CAS Name: 1-piperidinyl-[2-(1-tetrazolyl)phenyl]methanone
IUPAC NAME: piperidin-1-yl-[2-(tetrazol-1-yl)phenyl]methanone
SYSTEMATIC NAME: piperidin-1-yl-[2-(1,2,3,4-tetrazol-1-yl)phenyl]methanone
MOLECULAR FORMULA: C13H15N5O
MOLECULAR WEIGHT: 257.2911
SMILES: C1CCN(CC1)C(=O)C2=CC=CC=C2N3C=NN=N3
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Product OPENEYE NAME: (3-methyl-1-piperidyl)-[2-(tetrazol-1-yl)phenyl]methanone
CAS Name: (3-methyl-1-piperidinyl)-[2-(1-tetrazolyl)phenyl]methanone
IUPAC NAME: (3-methylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone
SYSTEMATIC NAME: (3-methylpiperidin-1-yl)-[2-(1,2,3,4-tetrazol-1-yl)phenyl]methanone
MOLECULAR FORMULA: C14H17N5O
MOLECULAR WEIGHT: 271.31768
SMILES: CC1CCCN(C1)C(=O)C2=CC=CC=C2N3C=NN=N3
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Product OPENEYE NAME: (4-methyl-1-piperidyl)-[2-(tetrazol-1-yl)phenyl]methanone
CAS Name: (4-methyl-1-piperidinyl)-[2-(1-tetrazolyl)phenyl]methanone
IUPAC NAME: (4-methylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone
SYSTEMATIC NAME: (4-methylpiperidin-1-yl)-[2-(1,2,3,4-tetrazol-1-yl)phenyl]methanone
MOLECULAR FORMULA: C14H17N5O
MOLECULAR WEIGHT: 271.31768
SMILES: CC1CCN(CC1)C(=O)C2=CC=CC=C2N3C=NN=N3
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Product OPENEYE NAME: 2-propyl-6-(4-propylpiperazine-1-carbonyl)pyridazin-3-one
CAS Name: 6-[oxo-(4-propyl-1-piperazinyl)methyl]-2-propyl-3-pyridazinone
IUPAC NAME: 2-propyl-6-(4-propylpiperazine-1-carbonyl)pyridazin-3-one
SYSTEMATIC NAME: 2-propyl-6-(4-propylpiperazin-1-yl)carbonyl-pyridazin-3-one
MOLECULAR FORMULA: C15H24N4O2
MOLECULAR WEIGHT: 292.37666
SMILES: CCCN1CCN(CC1)C(=O)C2=NN(C(=O)C=C2)CCC
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Product OPENEYE NAME: N-(3-methyl-1,1-dioxo-thiolan-3-yl)-2-(2-nitrophenyl)acetamide
CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-2-(2-nitrophenyl)acetamide
IUPAC NAME: N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-nitrophenyl)acetamide
SYSTEMATIC NAME: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(2-nitrophenyl)ethanamide
MOLECULAR FORMULA: C13H16N2O5S
MOLECULAR WEIGHT: 312.34154
SMILES: CC1(CCS(=O)(=O)C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: N-(3-methyl-1,1-dioxo-thiolan-3-yl)-6-oxo-1-propyl-pyridazine-3-carboxamide
CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-6-oxo-1-propyl-3-pyridazinecarboxamide
IUPAC NAME: N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SYSTEMATIC NAME: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide
MOLECULAR FORMULA: C13H19N3O4S
MOLECULAR WEIGHT: 313.37266
SMILES: CCCN1C(=O)C=CC(=N1)C(=O)NC2(CCS(=O)(=O)C2)C
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