Tuesday, October 2, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 6-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[oxo-(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-(2,3,4-trimethoxyphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C22H27N3O6
MOLECULAR WEIGHT: 429.46628
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C(=C(C=C3)OC)OC)OC
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Product OPENEYE NAME: ethyl 6-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[(2,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-(2,4-dimethoxyphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H25N3O5
MOLECULAR WEIGHT: 399.4403
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: ethyl 6-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[(2,3-dichlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-[2,3-bis(chloranyl)phenyl]carbonylpiperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C19H19Cl2N3O3
MOLECULAR WEIGHT: 408.27846
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)Cl)Cl
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Product OPENEYE NAME: ethyl 6-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[2-(4-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-[2-(4-methoxyphenyl)ethanoyl]piperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H25N3O4
MOLECULAR WEIGHT: 383.4409
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)OC
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Product OPENEYE NAME: ethyl 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-(2-phenoxyethanoyl)piperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3
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Product OPENEYE NAME: ethyl 6-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[2-(1H-indol-3-yl)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-[2-(1H-indol-3-yl)ethanoyl]piperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C22H24N4O3
MOLECULAR WEIGHT: 392.45096
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43
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Product OPENEYE NAME: ethyl 6-[4-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[(2R)-2-(2,4-dichlorophenoxy)-1-oxopropyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-[(2R)-2-[2,4-bis(chloranyl)phenoxy]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H23Cl2N3O4
MOLECULAR WEIGHT: 452.33102
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)[C@@H](C)OC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: ethyl 6-[4-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[(2S)-2-(2,4-dichlorophenoxy)-1-oxopropyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-[(2S)-2-[2,4-bis(chloranyl)phenoxy]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H23Cl2N3O4
MOLECULAR WEIGHT: 452.33102
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)[C@H](C)OC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: ethyl 6-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 6-[4-[(E)-3-(2-furyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C19H21N3O4
MOLECULAR WEIGHT: 355.38774
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=CO3
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Product OPENEYE NAME: ethyl 6-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[oxo-(3,4,5-triethoxyphenyl)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C25H33N3O6
MOLECULAR WEIGHT: 471.54602
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OCC
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Product OPENEYE NAME: N-[2-(benzylsulfonylamino)ethyl]azepane-1-sulfonamide
CAS Name: N-[2-[(phenylmethyl)sulfonylamino]ethyl]-1-azepanesulfonamide
IUPAC NAME: N-[2-(benzylsulfonylamino)ethyl]azepane-1-sulfonamide
SYSTEMATIC NAME: N-[2-[(phenylmethyl)sulfonylamino]ethyl]azepane-1-sulfonamide
MOLECULAR FORMULA: C15H25N3O4S2
MOLECULAR WEIGHT: 375.5067
SMILES: C1CCCN(CC1)S(=O)(=O)NCCNS(=O)(=O)CC2=CC=CC=C2
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Product OPENEYE NAME: ethyl 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[(5-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C18H21N3O3S
MOLECULAR WEIGHT: 359.44264
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: ethyl 6-[4-[2-(1-naphthyl)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[2-(1-naphthalenyl)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-(2-naphthalen-1-ylethanoyl)piperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C24H25N3O3
MOLECULAR WEIGHT: 403.4736
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: ethyl 6-[4-[(1R)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[[(1R)-2,2-dichloro-1-methylcyclopropyl]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-[(1R)-2,2-bis(chloranyl)-1-methyl-cyclopropyl]carbonylpiperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C17H21Cl2N3O3
MOLECULAR WEIGHT: 386.27294
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)[C@]3(CC3(Cl)Cl)C
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Product OPENEYE NAME: ethyl 6-[4-[(1S)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carboxylate
CAS Name: 6-[4-[[(1S)-2,2-dichloro-1-methylcyclopropyl]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-[(1S)-2,2-bis(chloranyl)-1-methyl-cyclopropyl]carbonylpiperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C17H21Cl2N3O3
MOLECULAR WEIGHT: 386.27294
SMILES: CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)[C@@]3(CC3(Cl)Cl)C
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Product OPENEYE NAME: N-[2-(benzylsulfonylamino)ethyl]-3-methyl-quinoline-8-sulfonamide
CAS Name: 3-methyl-N-[2-[(phenylmethyl)sulfonylamino]ethyl]-8-quinolinesulfonamide
IUPAC NAME: N-[2-(benzylsulfonylamino)ethyl]-3-methylquinoline-8-sulfonamide
SYSTEMATIC NAME: 3-methyl-N-[2-[(phenylmethyl)sulfonylamino]ethyl]quinoline-8-sulfonamide
MOLECULAR FORMULA: C19H21N3O4S2
MOLECULAR WEIGHT: 419.51774
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCCNS(=O)(=O)CC3=CC=CC=C3
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Product OPENEYE NAME: 1-[2-(diethylsulfamoylamino)ethoxy]-4-methoxy-benzene
CAS Name: 1-[2-(diethylsulfamoylamino)ethoxy]-4-methoxybenzene
IUPAC NAME: 1-[2-(diethylsulfamoylamino)ethoxy]-4-methoxybenzene
SYSTEMATIC NAME: 1-[2-(diethylsulfamoylamino)ethoxy]-4-methoxy-benzene
MOLECULAR FORMULA: C13H22N2O4S
MOLECULAR WEIGHT: 302.38978
SMILES: CCN(CC)S(=O)(=O)NCCOC1=CC=C(C=C1)OC
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Product OPENEYE NAME: [2-(difluoromethoxy)phenyl]-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]methanone
CAS Name: [2-(difluoromethoxy)phenyl]-[4-(4-methoxy-3-methylphenyl)sulfonyl-1-piperazinyl]methanone
IUPAC NAME: [2-(difluoromethoxy)phenyl]-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]methanone
SYSTEMATIC NAME: [2-[bis(fluoranyl)methoxy]phenyl]-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]methanone
MOLECULAR FORMULA: C20H22F2N2O5S
MOLECULAR WEIGHT: 440.460886
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3OC(F)F)OC
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