Monday, May 6, 2013

All Chemical Compounds Information



Product OPENEYE NAME: N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-morpholinophenyl)methanamine
CAS Name: N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[4-(4-morpholinyl)phenyl]methanamine
IUPAC NAME: N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-morpholin-4-ylphenyl)methanamine
SYSTEMATIC NAME: N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-morpholin-4-ylphenyl)methanamine
MOLECULAR FORMULA: C22H26N4O2
MOLECULAR WEIGHT: 378.46744
SMILES: COC1=CC=C(C=C1)C2=C(C=NN2)CNCC3=CC=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CAS Name: 2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
IUPAC NAME: 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SYSTEMATIC NAME: 2-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide
MOLECULAR FORMULA: C20H18N4O3
MOLECULAR WEIGHT: 362.38192
SMILES: C1=CC=C2C(=C1)[C@@H](OC2=O)CC(=O)NCC3=CC=C(C=C3)CN4C=NC=N4
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Product OPENEYE NAME: 2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CAS Name: 2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
IUPAC NAME: 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SYSTEMATIC NAME: 2-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide
MOLECULAR FORMULA: C20H18N4O3
MOLECULAR WEIGHT: 362.38192
SMILES: C1=CC=C2C(=C1)[C@H](OC2=O)CC(=O)NCC3=CC=C(C=C3)CN4C=NC=N4
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Product OPENEYE NAME: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
IUPAC NAME: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
SYSTEMATIC NAME: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
MOLECULAR FORMULA: C21H22N4O5S
MOLECULAR WEIGHT: 442.48818
SMILES: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)NCC3=CC=C(C=C3)CN4C=NC=N4
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Product OPENEYE NAME: 3-ethyl-5-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]isoxazole-4-carboxamide
CAS Name: 3-ethyl-5-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-isoxazolecarboxamide
IUPAC NAME: 3-ethyl-5-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: 3-ethyl-5-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C17H19N5O2
MOLECULAR WEIGHT: 325.36506
SMILES: CCC1=NOC(=C1C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)C
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Product OPENEYE NAME: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide
CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-imidazolecarboxamide
IUPAC NAME: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide
SYSTEMATIC NAME: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide
MOLECULAR FORMULA: C21H19FN6OS
MOLECULAR WEIGHT: 422.478563
SMILES: CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4
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Product OPENEYE NAME: [2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-[2-furanylmethyl(methyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: [2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C18H16ClN3O4
MOLECULAR WEIGHT: 373.79034
SMILES: CN(CC1=CC=CO1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (1R)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanol
CAS Name: (1R)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanol
IUPAC NAME: (1R)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
SYSTEMATIC NAME: (1R)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanol
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: C1CC1C2=NC(=NN2)SC[C@@H](C3=CC=CC=C3)O
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Product OPENEYE NAME: (1S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanol
CAS Name: (1S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanol
IUPAC NAME: (1S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
SYSTEMATIC NAME: (1S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanol
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: C1CC1C2=NC(=NN2)SC[C@H](C3=CC=CC=C3)O
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Product OPENEYE NAME: (3S)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
CAS Name: (3S)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-azepanone
IUPAC NAME: (3S)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
SYSTEMATIC NAME: (3S)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
MOLECULAR FORMULA: C11H16N4OS
MOLECULAR WEIGHT: 252.33594
SMILES: C1CCNC(=O)[C@H](C1)SC2=NNC(=N2)C3CC3
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Product OPENEYE NAME: (3R)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
CAS Name: (3R)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-azepanone
IUPAC NAME: (3R)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
SYSTEMATIC NAME: (3R)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
MOLECULAR FORMULA: C11H16N4OS
MOLECULAR WEIGHT: 252.33594
SMILES: C1CCNC(=O)[C@@H](C1)SC2=NNC(=N2)C3CC3
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