Monday, April 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (3R)-1-isopropyl-5-oxo-N-(p-tolyl)pyrrolidine-3-carboxamide
CAS Name: (3R)-N-(4-methylphenyl)-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxamide
IUPAC NAME: (3R)-N-(4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(4-methylphenyl)-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)N(C2)C(C)C
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Product OPENEYE NAME: N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]-1H-1,2,4-triazole-5-carboxamide
CAS Name: N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]-1H-1,2,4-triazole-5-carboxamide
IUPAC NAME: N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-1H-1,2,4-triazole-5-carboxamide
SYSTEMATIC NAME: N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide
MOLECULAR FORMULA: C20H19ClN6O2
MOLECULAR WEIGHT: 410.85686
SMILES: C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=NC=NN3)Cl)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CAS Name: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
IUPAC NAME: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
SYSTEMATIC NAME: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
MOLECULAR FORMULA: C16H9Cl2N5O2
MOLECULAR WEIGHT: 374.18096
SMILES: C1=CC(=C(C=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=NC=NN4)Cl)Cl
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Product OPENEYE NAME: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
IUPAC NAME: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SYSTEMATIC NAME: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide
MOLECULAR FORMULA: C20H22N6O
MOLECULAR WEIGHT: 362.42828
SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NC=NN4
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Product OPENEYE NAME: N-[4-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CAS Name: N-[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide
IUPAC NAME: N-[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide
SYSTEMATIC NAME: N-[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide
MOLECULAR FORMULA: C20H19N5O2
MOLECULAR WEIGHT: 361.39716
SMILES: CC[C@H](C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=NC=NN4
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Product OPENEYE NAME: 2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(4-ethoxyphenyl)acetamide
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(4-ethoxyphenyl)acetamide
IUPAC NAME: 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(4-ethoxyphenyl)ethanamide
MOLECULAR FORMULA: C17H19N5O4
MOLECULAR WEIGHT: 357.36386
SMILES: CCOC1=CC=C(C=C1)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C
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Product OPENEYE NAME: 2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[(4-methoxyphenyl)methyl]acetamide
IUPAC NAME: 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-[(4-methoxyphenyl)methyl]ethanamide
MOLECULAR FORMULA: C17H19N5O4
MOLECULAR WEIGHT: 357.36386
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-[(1S)-1-phenylpropyl]acetamide
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[(1S)-1-phenylpropyl]acetamide
IUPAC NAME: 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-[(1S)-1-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-[(1S)-1-phenylpropyl]ethanamide
MOLECULAR FORMULA: C18H21N5O3
MOLECULAR WEIGHT: 355.39104
SMILES: CC[C@@H](C1=CC=CC=C1)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C
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Product OPENEYE NAME: N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)acetamide
CAS Name: N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxo-9-purinyl)acetamide
IUPAC NAME: N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(4-ethanoylphenyl)ethanamide
MOLECULAR FORMULA: C17H17N5O4
MOLECULAR WEIGHT: 355.34798
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C
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Product OPENEYE NAME: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2S)-2-methyl-1-piperidyl]methanone
CAS Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2S)-2-methyl-1-piperidinyl]methanone
IUPAC NAME: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
SYSTEMATIC NAME: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: C[C@H]1CCCCN1C(=O)[C@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2R)-2-methyl-1-piperidyl]methanone
CAS Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2R)-2-methyl-1-piperidinyl]methanone
IUPAC NAME: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SYSTEMATIC NAME: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: C[C@@H]1CCCCN1C(=O)[C@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2S)-2-methyl-1-piperidyl]methanone
CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2S)-2-methyl-1-piperidinyl]methanone
IUPAC NAME: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
SYSTEMATIC NAME: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: C[C@H]1CCCCN1C(=O)[C@@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2R)-2-methyl-1-piperidyl]methanone
CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2R)-2-methyl-1-piperidinyl]methanone
IUPAC NAME: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SYSTEMATIC NAME: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: C[C@@H]1CCCCN1C(=O)[C@@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: (3R)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3R)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3R)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C18H17NO5
MOLECULAR WEIGHT: 327.33128
SMILES: CC1(OC2=C(O1)C=C(C=C2)NC(=O)[C@H]3COC4=CC=CC=C4O3)C
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Product OPENEYE NAME: (3S)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3S)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3S)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C18H17NO5
MOLECULAR WEIGHT: 327.33128
SMILES: CC1(OC2=C(O1)C=C(C=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3)C
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Product OPENEYE NAME: [(3S)-1-benzyl-3-piperidyl]methanamine
CAS Name: [(3S)-1-(phenylmethyl)-3-piperidinyl]methanamine
IUPAC NAME: [(3S)-1-benzylpiperidin-3-yl]methanamine
SYSTEMATIC NAME: [(3S)-1-(phenylmethyl)piperidin-3-yl]methanamine
MOLECULAR FORMULA: C13H20N2
MOLECULAR WEIGHT: 204.3113
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)CN
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Product OPENEYE NAME: [(3R)-1-benzyl-3-piperidyl]methanamine
CAS Name: [(3R)-1-(phenylmethyl)-3-piperidinyl]methanamine
IUPAC NAME: [(3R)-1-benzylpiperidin-3-yl]methanamine
SYSTEMATIC NAME: [(3R)-1-(phenylmethyl)piperidin-3-yl]methanamine
MOLECULAR FORMULA: C13H20N2
MOLECULAR WEIGHT: 204.3113
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)CN
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Product OPENEYE NAME: N-[(3R)-3-(2-furyl)-3-(p-tolyl)propyl]-N-(2-thienylmethyl)acetamide
CAS Name: N-[(3R)-3-(2-furanyl)-3-(4-methylphenyl)propyl]-N-(thiophen-2-ylmethyl)acetamide
IUPAC NAME: N-[(3R)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: N-[(3R)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C21H23NO2S
MOLECULAR WEIGHT: 353.47782
SMILES: CC1=CC=C(C=C1)[C@@H](CCN(CC2=CC=CS2)C(=O)C)C3=CC=CO3
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Product OPENEYE NAME: N-[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-4-phenyl-butyl]-N-(2-furylmethyl)acetamide
CAS Name: N-[(3S)-3-[(4S)-2,2-dimethyl-4-oxanyl]-4-phenylbutyl]-N-(2-furanylmethyl)acetamide
IUPAC NAME: N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-phenylbutyl]-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-phenyl-butyl]-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C24H33NO3
MOLECULAR WEIGHT: 383.52372
SMILES: CC(=O)N(CC[C@H](CC1=CC=CC=C1)[C@H]2CCOC(C2)(C)C)CC3=CC=CO3
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Product OPENEYE NAME: N-[(3R)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-phenyl-butyl]-N-(2-furylmethyl)acetamide
CAS Name: N-[(3R)-3-[(4R)-2,2-dimethyl-4-oxanyl]-4-phenylbutyl]-N-(2-furanylmethyl)acetamide
IUPAC NAME: N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-phenylbutyl]-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-phenyl-butyl]-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C24H33NO3
MOLECULAR WEIGHT: 383.52372
SMILES: CC(=O)N(CC[C@@H](CC1=CC=CC=C1)[C@@H]2CCOC(C2)(C)C)CC3=CC=CO3
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Product OPENEYE NAME: N-[(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-phenyl-butyl]-N-(2-furylmethyl)acetamide
CAS Name: N-[(3S)-3-[(4R)-2,2-dimethyl-4-oxanyl]-4-phenylbutyl]-N-(2-furanylmethyl)acetamide
IUPAC NAME: N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-phenylbutyl]-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-phenyl-butyl]-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C24H33NO3
MOLECULAR WEIGHT: 383.52372
SMILES: CC(=O)N(CC[C@H](CC1=CC=CC=C1)[C@@H]2CCOC(C2)(C)C)CC3=CC=CO3
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Product OPENEYE NAME: methyl 2-[[4-(dimethylamino)-6-morpholino-1,3,5-triazin-2-yl]sulfanyl]acetate
CAS Name: 2-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]acetic acid methyl ester
IUPAC NAME: methyl 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
SYSTEMATIC NAME: methyl 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C12H19N5O3S
MOLECULAR WEIGHT: 313.37596
SMILES: CN(C)C1=NC(=NC(=N1)N2CCOCC2)SCC(=O)OC
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