Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H16FNO4
MOLECULAR WEIGHT: 341.333043
SMILES: C[C@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-(p-tolylmethyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SYSTEMATIC NAME: N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C21H28N3O3S+
MOLECULAR WEIGHT: 402.53032
SMILES: CC1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-(p-tolylmethyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SYSTEMATIC NAME: N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C21H27N3O3S
MOLECULAR WEIGHT: 401.52238
SMILES: CC1=CC=C(C=C1)CN(C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CAS Name: 2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dimethylphenyl)acetamide
IUPAC NAME: 2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[(3aR,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C18H20N2O3
MOLECULAR WEIGHT: 312.363
SMILES: CC1=C(C=C(C=C1)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 4-(4-methylphenoxy)butanoate
CAS Name: 4-(4-methylphenoxy)butanoic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-(4-methylphenoxy)butanoate
MOLECULAR FORMULA: C22H27NO5
MOLECULAR WEIGHT: 385.45348
SMILES: CC1=CC=C(C=C1)OCCCC(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C
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Product OPENEYE NAME: N-[2-(4-chlorophenoxy)ethyl]-4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)butanamide
CAS Name: N-[2-(4-chlorophenoxy)ethyl]-4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)butanamide
IUPAC NAME: N-[2-(4-chlorophenoxy)ethyl]-4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)butanamide
SYSTEMATIC NAME: 4-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]-N-[2-(4-chloranylphenoxy)ethyl]butanamide
MOLECULAR FORMULA: C19H24ClN3O4
MOLECULAR WEIGHT: 393.86456
SMILES: C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)NCCOC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: methyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate
CAS Name: 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate
MOLECULAR FORMULA: C16H20N2O4S
MOLECULAR WEIGHT: 336.406
SMILES: COC(=O)C1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-chlorophenyl)methyl]-N-methyl-acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H25ClN3O3S+
MOLECULAR WEIGHT: 422.9488
SMILES: CN(CC1=CC=C(C=C1)Cl)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]-N-methyl-acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H24ClN3O3S
MOLECULAR WEIGHT: 421.94086
SMILES: CN(CC1=CC=C(C=C1)Cl)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[2-(4-chlorophenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CAS Name: N-[2-(4-chlorophenoxy)ethyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide
IUPAC NAME: N-[2-(4-chlorophenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SYSTEMATIC NAME: N-[2-(4-chloranylphenoxy)ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C19H21ClN2O3S
MOLECULAR WEIGHT: 392.89964
SMILES: C1CN(CCC1C(=O)NCCOC2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(1-cyanocyclopentyl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide
SYSTEMATIC NAME: N-(1-cyanocyclopentyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C18H25N4O3S+
MOLECULAR WEIGHT: 377.4811
SMILES: C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(1-cyanocyclopentyl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SYSTEMATIC NAME: N-(1-cyanocyclopentyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C18H24N4O3S
MOLECULAR WEIGHT: 376.47316
SMILES: C1CCC(C1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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