Sunday, April 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (2R)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-phenyl-propanamide
CAS Name: (2R)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-phenylpropanamide
IUPAC NAME: (2R)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-phenylpropanamide
SYSTEMATIC NAME: (2R)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-phenyl-propanamide
MOLECULAR FORMULA: C19H20N4O3S2
MOLECULAR WEIGHT: 416.5171
SMILES: CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-4-methyl-benzenesulfonamide
CAS Name: N-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-4-methylbenzenesulfonamide
IUPAC NAME: N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C14H19N3O2S
MOLECULAR WEIGHT: 293.38456
SMILES: CCN1C(=C(C(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)C)C
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Product OPENEYE NAME: N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide
CAS Name: N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-pyridinecarboxamide
IUPAC NAME: N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C19H17N3O4S
MOLECULAR WEIGHT: 383.42098
SMILES: COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3
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Product OPENEYE NAME: 2-(4-acetylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione
CAS Name: 2-(4-acetylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
IUPAC NAME: 2-(4-acetylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-(4-ethanoylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C20H12N2O5
MOLECULAR WEIGHT: 360.31968
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O
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Product OPENEYE NAME: 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CAS Name: 4-methyl-N-(1,3,5-trimethyl-4-pyrazolyl)benzenesulfonamide
IUPAC NAME: 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
MOLECULAR FORMULA: C13H17N3O2S
MOLECULAR WEIGHT: 279.35798
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)C)C
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Product OPENEYE NAME: N-(2-methyl-4-morpholinosulfonyl-phenyl)-3-phenyl-propanamide
CAS Name: N-[2-methyl-4-(4-morpholinylsulfonyl)phenyl]-3-phenylpropanamide
IUPAC NAME: N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
SYSTEMATIC NAME: N-(2-methyl-4-morpholin-4-ylsulfonyl-phenyl)-3-phenyl-propanamide
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCC3=CC=CC=C3
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Product OPENEYE NAME: 6-acetyl-2-(2-naphthyl)benzo[de]isoquinoline-1,3-dione
CAS Name: 6-acetyl-2-(2-naphthalenyl)benzo[de]isoquinoline-1,3-dione
IUPAC NAME: 6-acetyl-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 6-ethanoyl-2-naphthalen-2-yl-benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C24H15NO3
MOLECULAR WEIGHT: 365.3808
SMILES: CC(=O)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C4=CC5=CC=CC=C5C=C4
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Product OPENEYE NAME: 2-(4-hydroxy-2-methyl-phenyl)benzo[de]isoquinoline-1,3-dione
CAS Name: 2-(4-hydroxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione
IUPAC NAME: 2-(4-hydroxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-(2-methyl-4-oxidanyl-phenyl)benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C19H13NO3
MOLECULAR WEIGHT: 303.31142
SMILES: CC1=C(C=CC(=C1)O)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
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Product OPENEYE NAME: 6-acetyl-2-(5-chloro-2-hydroxy-phenyl)benzo[de]isoquinoline-1,3-dione
CAS Name: 6-acetyl-2-(5-chloro-2-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione
IUPAC NAME: 6-acetyl-2-(5-chloro-2-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-(5-chloranyl-2-oxidanyl-phenyl)-6-ethanoyl-benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C20H12ClNO4
MOLECULAR WEIGHT: 365.76658
SMILES: CC(=O)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C4=C(C=CC(=C4)Cl)O
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Product OPENEYE NAME: 2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)acetonitrile
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9-purinyl)acetonitrile
IUPAC NAME: 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetonitrile
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanenitrile
MOLECULAR FORMULA: C9H9N5O2
MOLECULAR WEIGHT: 219.20006
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=CN2CC#N
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Product OPENEYE NAME: 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethene-1,1,2-tricarbonitrile
CAS Name: 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethene-1,1,2-tricarbonitrile
IUPAC NAME: 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C13H10N4
MOLECULAR WEIGHT: 222.2453
SMILES: C1CCC2=C(C1)C=C(N2)C(=C(C#N)C#N)C#N
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Product OPENEYE NAME: 2-(5-phenyl-1H-pyrrol-2-yl)ethene-1,1,2-tricarbonitrile
CAS Name: 2-(5-phenyl-1H-pyrrol-2-yl)ethene-1,1,2-tricarbonitrile
IUPAC NAME: 2-(5-phenyl-1H-pyrrol-2-yl)ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: 2-(5-phenyl-1H-pyrrol-2-yl)ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C15H8N4
MOLECULAR WEIGHT: 244.25082
SMILES: C1=CC=C(C=C1)C2=CC=C(N2)C(=C(C#N)C#N)C#N
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Product OPENEYE NAME: 2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethene-1,1,2-tricarbonitrile
CAS Name: 2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethene-1,1,2-tricarbonitrile
IUPAC NAME: 2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: 2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C14H12N4
MOLECULAR WEIGHT: 236.27188
SMILES: CC1=C(C2=C(N1)CCCC2)C(=C(C#N)C#N)C#N
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Product OPENEYE NAME: 2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethene-1,1,2-tricarbonitrile
CAS Name: 2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethene-1,1,2-tricarbonitrile
IUPAC NAME: 2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: 2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C16H10N4
MOLECULAR WEIGHT: 258.2774
SMILES: CC1=C(C=C(N1)C2=CC=CC=C2)C(=C(C#N)C#N)C#N
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Product OPENEYE NAME: 2-(2-methyl-1-vinyl-4,5,6,7-tetrahydroindol-3-yl)ethene-1,1,2-tricarbonitrile
CAS Name: 2-(1-ethenyl-2-methyl-4,5,6,7-tetrahydroindol-3-yl)ethene-1,1,2-tricarbonitrile
IUPAC NAME: 2-(1-ethenyl-2-methyl-4,5,6,7-tetrahydroindol-3-yl)ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: 2-(1-ethenyl-2-methyl-4,5,6,7-tetrahydroindol-3-yl)ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C16H14N4
MOLECULAR WEIGHT: 262.30916
SMILES: CC1=C(C2=C(N1C=C)CCCC2)C(=C(C#N)C#N)C#N
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Product OPENEYE NAME: 1-(4-tert-butylbenzoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidine-4-carboxamide
CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-N-[[(2R)-2-oxolanyl]methyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(4-tert-butylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)carbonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C22H32N2O3
MOLECULAR WEIGHT: 372.50108
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC[C@H]3CCCO3
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Product OPENEYE NAME: 1-(4-tert-butylbenzoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperidine-4-carboxamide
CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-N-[[(2S)-2-oxolanyl]methyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(4-tert-butylbenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)carbonyl-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C22H32N2O3
MOLECULAR WEIGHT: 372.50108
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC[C@@H]3CCCO3
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Product OPENEYE NAME: 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-N-[2-(4-methoxyphenyl)ethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)carbonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C26H34N2O3
MOLECULAR WEIGHT: 422.55976
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 1-(4-tert-butylbenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-N-(4-fluorophenyl)-4-piperidinecarboxamide
IUPAC NAME: 1-(4-tert-butylbenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)carbonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C23H27FN2O2
MOLECULAR WEIGHT: 382.471083
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)-4-piperidyl]methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone
MOLECULAR FORMULA: C23H27N3O4S
MOLECULAR WEIGHT: 441.54318
SMILES: C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5
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Product OPENEYE NAME: azepan-1-yl-[1-(4-tert-butylbenzoyl)-4-piperidyl]methanone
CAS Name: 1-azepanyl-[1-[(4-tert-butylphenyl)-oxomethyl]-4-piperidinyl]methanone
IUPAC NAME: azepan-1-yl-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
SYSTEMATIC NAME: azepan-1-yl-[1-(4-tert-butylphenyl)carbonylpiperidin-4-yl]methanone
MOLECULAR FORMULA: C23H34N2O2
MOLECULAR WEIGHT: 370.52826
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3
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Product OPENEYE NAME: 1-(4-tert-butylbenzoyl)-N-(2-furylmethyl)piperidine-4-carboxamide
CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide
IUPAC NAME: 1-(4-tert-butylbenzoyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)carbonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3
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Product OPENEYE NAME: 3-fluoro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CAS Name: 3-fluoro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
IUPAC NAME: 3-fluoro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SYSTEMATIC NAME: 3-fluoranyl-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
MOLECULAR FORMULA: C19H15FN2O2S
MOLECULAR WEIGHT: 354.398003
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)C4=CC(=CC=C4)F
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Product OPENEYE NAME: N-cyclohexyl-1-(2,5-dichlorophenyl)sulfonyl-piperidine-4-carboxamide
CAS Name: N-cyclohexyl-1-(2,5-dichlorophenyl)sulfonyl-4-piperidinecarboxamide
IUPAC NAME: N-cyclohexyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)phenyl]sulfonyl-N-cyclohexyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C18H24Cl2N2O3S
MOLECULAR WEIGHT: 419.36576
SMILES: C1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
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