Friday, March 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile
CAS Name: 3-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]benzonitrile
IUPAC NAME: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile
SYSTEMATIC NAME: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile
MOLECULAR FORMULA: C22H22N3O2S+
MOLECULAR WEIGHT: 392.49398
SMILES: C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: 3-[[4-(2-naphthylsulfonyl)piperazin-1-yl]methyl]benzonitrile
CAS Name: 3-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]methyl]benzonitrile
IUPAC NAME: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]benzonitrile
SYSTEMATIC NAME: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]benzenecarbonitrile
MOLECULAR FORMULA: C22H21N3O2S
MOLECULAR WEIGHT: 391.48604
SMILES: C1CN(CCN1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: [2-oxo-2-(2-phenylanilino)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(2-phenylanilino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-phenylanilino)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C24H19NO4
MOLECULAR WEIGHT: 385.41196
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=CC=C3C4=CC=CC=C4
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate
CAS Name: 4-butoxy-3-methoxybenzoic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 4-butoxy-3-methoxybenzoate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-methoxy-benzoate
MOLECULAR FORMULA: C23H29NO6
MOLECULAR WEIGHT: 415.47946
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC
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Product OPENEYE NAME: 4-(isopropoxymethyl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-(propan-2-yloxymethyl)benzamide
IUPAC NAME: N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-(propan-2-yloxymethyl)benzamide
SYSTEMATIC NAME: N-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]-4-(propan-2-yloxymethyl)benzamide
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: CCCNC(=O)[C@@H](C)NC(=O)C1=CC=C(C=C1)COC(C)C
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Product OPENEYE NAME: 2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide
IUPAC NAME: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SYSTEMATIC NAME: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide
MOLECULAR FORMULA: C16H20N3O3S+
MOLECULAR WEIGHT: 334.4133
SMILES: C1CN(CC[NH+]1CC(=O)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 2-[4-(2-naphthylsulfonyl)piperazin-1-yl]acetamide
CAS Name: 2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]acetamide
IUPAC NAME: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SYSTEMATIC NAME: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanamide
MOLECULAR FORMULA: C16H19N3O3S
MOLECULAR WEIGHT: 333.40536
SMILES: C1CN(CCN1CC(=O)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate
CAS Name: 4-butoxy-3-methoxybenzoic 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-butoxy-3-methoxybenzoate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-methoxy-benzoate
MOLECULAR FORMULA: C23H29NO6
MOLECULAR WEIGHT: 415.47946
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC
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Product OPENEYE NAME: 4-(isopropoxymethyl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-(propan-2-yloxymethyl)benzamide
IUPAC NAME: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-(propan-2-yloxymethyl)benzamide
SYSTEMATIC NAME: N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-4-(propan-2-yloxymethyl)benzamide
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: CCCNC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)COC(C)C
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Product OPENEYE NAME: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H17Cl2NO4
MOLECULAR WEIGHT: 406.25928
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCCC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanenitrile
CAS Name: 3-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanenitrile
IUPAC NAME: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile
MOLECULAR FORMULA: C17H20N3O2S+
MOLECULAR WEIGHT: 330.4246
SMILES: C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 3-[4-(2-naphthylsulfonyl)piperazin-1-yl]propanenitrile
CAS Name: 3-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]propanenitrile
IUPAC NAME: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanenitrile
MOLECULAR FORMULA: C17H19N3O2S
MOLECULAR WEIGHT: 329.41666
SMILES: C1CN(CCN1CCC#N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: (2R)-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-propyl-propanamide
CAS Name: (2R)-2-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]-N-propylpropanamide
IUPAC NAME: (2R)-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-propylpropanamide
SYSTEMATIC NAME: (2R)-2-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-N-propyl-propanamide
MOLECULAR FORMULA: C16H21N3O4
MOLECULAR WEIGHT: 319.35564
SMILES: CCCNC(=O)[C@@H](C)NC(=O)CCN1C2=CC=CC=C2OC1=O
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Product OPENEYE NAME: 2-[[2-(3-thienyl)thiazol-4-yl]methoxy]benzamide
CAS Name: 2-[[2-(3-thiophenyl)-4-thiazolyl]methoxy]benzamide
IUPAC NAME: 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]benzamide
SYSTEMATIC NAME: 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]benzamide
MOLECULAR FORMULA: C15H12N2O2S2
MOLECULAR WEIGHT: 316.39798
SMILES: C1=CC=C(C(=C1)C(=O)N)OCC2=CSC(=N2)C3=CSC=C3
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Product OPENEYE NAME: N-(2-furylmethyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-(2-furanylmethyl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(furan-2-ylmethyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide
MOLECULAR FORMULA: C21H24N3O4S+
MOLECULAR WEIGHT: 414.49796
SMILES: C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: N-(2-furylmethyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-(2-furanylmethyl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]acetamide
IUPAC NAME: N-(furan-2-ylmethyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanamide
MOLECULAR FORMULA: C21H23N3O4S
MOLECULAR WEIGHT: 413.49002
SMILES: C1CN(CCN1CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: [2-(2-benzylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester
IUPAC NAME: [2-(2-benzylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C25H21NO4
MOLECULAR WEIGHT: 399.43854
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4
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Product OPENEYE NAME: 5-(2-fluorophenyl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]furan-2-carboxamide
CAS Name: 5-(2-fluorophenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-furancarboxamide
IUPAC NAME: 5-(2-fluorophenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: 5-(2-fluorophenyl)-N-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C17H19FN2O3
MOLECULAR WEIGHT: 318.342763
SMILES: CCCNC(=O)[C@@H](C)NC(=O)C1=CC=C(O1)C2=CC=CC=C2F
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Product OPENEYE NAME: 2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide
CAS Name: N-(2-methylphenyl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(2-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SYSTEMATIC NAME: N-(2-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide
MOLECULAR FORMULA: C23H26N3O3S+
MOLECULAR WEIGHT: 424.53584
SMILES: CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
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