Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-chloro-N-[(1S)-1-[(2,4-dimethylphenyl)carbamoyl]-3-methyl-butyl]benzamide
CAS Name: 4-chloro-N-[(2S)-1-(2,4-dimethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: 4-chloro-N-[(2S)-1-(2,4-dimethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[(2S)-1-[(2,4-dimethylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C21H25ClN2O2
MOLECULAR WEIGHT: 372.8884
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H](CC(C)C)NC(=O)C2=CC=C(C=C2)Cl)C
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Product OPENEYE NAME: N-[2-(4-tert-butylphenoxy)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-4-[(2-oxo-1-pyrrolidinyl)methyl]benzamide
IUPAC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SYSTEMATIC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide
MOLECULAR FORMULA: C24H30N2O3
MOLECULAR WEIGHT: 394.5066
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)CN3CCCC3=O
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanenitrile
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propanenitrile
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanenitrile
SYSTEMATIC NAME: (2S)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanenitrile
MOLECULAR FORMULA: C13H18N3O2S+
MOLECULAR WEIGHT: 280.36592
SMILES: C[C@@H](C#N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]propanenitrile
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazinyl]propanenitrile
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]propanenitrile
SYSTEMATIC NAME: (2S)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanenitrile
MOLECULAR FORMULA: C13H17N3O2S
MOLECULAR WEIGHT: 279.35798
SMILES: C[C@@H](C#N)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[4-(4-methylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H18N2O4S
MOLECULAR WEIGHT: 406.45432
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 3,4,5-trichloro-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CAS Name: 3,4,5-trichloro-N-(2,4-dimethylphenyl)-2-pyridinecarboxamide
IUPAC NAME: 3,4,5-trichloro-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
SYSTEMATIC NAME: 3,4,5-tris(chloranyl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C14H11Cl3N2O
MOLECULAR WEIGHT: 329.60894
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=NC=C(C(=C2Cl)Cl)Cl)C
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanenitrile
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propanenitrile
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanenitrile
SYSTEMATIC NAME: (2R)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanenitrile
MOLECULAR FORMULA: C13H18N3O2S+
MOLECULAR WEIGHT: 280.36592
SMILES: C[C@H](C#N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]propanenitrile
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazinyl]propanenitrile
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]propanenitrile
SYSTEMATIC NAME: (2R)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanenitrile
MOLECULAR FORMULA: C13H17N3O2S
MOLECULAR WEIGHT: 279.35798
SMILES: C[C@H](C#N)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-[2-(4-tert-butylphenoxy)ethyl]-4-fluoro-3-nitro-benzamide
CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-4-fluoro-3-nitrobenzamide
IUPAC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-4-fluoro-3-nitrobenzamide
SYSTEMATIC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-4-fluoranyl-3-nitro-benzamide
MOLECULAR FORMULA: C19H21FN2O4
MOLECULAR WEIGHT: 360.379443
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SYSTEMATIC NAME: N-(2-methylpropylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C17H27N4O4S+
MOLECULAR WEIGHT: 383.48568
SMILES: CC(C)CNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(isobutylcarbamoyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SYSTEMATIC NAME: N-(2-methylpropylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C17H26N4O4S
MOLECULAR WEIGHT: 382.47774
SMILES: CC(C)CNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 3-(2-chlorophenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
CAS Name: 3-(2-chlorophenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
IUPAC NAME: 3-(2-chlorophenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
SYSTEMATIC NAME: 3-(2-chlorophenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
MOLECULAR FORMULA: C17H18ClNO3S
MOLECULAR WEIGHT: 351.84772
SMILES: CC1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2Cl)C
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Product OPENEYE NAME: N-[2-(4-tert-butylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide
IUPAC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SYSTEMATIC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C23H30N2O3S
MOLECULAR WEIGHT: 414.5609
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3
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