Wednesday, October 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-3-(3-oxo-1H-isobenzofuran-5-yl)urea
CAS Name: 1-(3-chloro-4-methylphenyl)-3-(3-oxo-1H-isobenzofuran-5-yl)urea
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-3-(3-oxidanylidene-1H-2-benzofuran-5-yl)urea
MOLECULAR FORMULA: C16H13ClN2O3
MOLECULAR WEIGHT: 316.73902
SMILES: CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(COC3=O)C=C2)Cl
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Product OPENEYE NAME: 1-(3-oxo-1H-isobenzofuran-5-yl)-3-(p-tolylsulfonyl)urea
CAS Name: 1-(4-methylphenyl)sulfonyl-3-(3-oxo-1H-isobenzofuran-5-yl)urea
IUPAC NAME: 1-(4-methylphenyl)sulfonyl-3-(3-oxo-1H-2-benzofuran-5-yl)urea
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-3-(3-oxidanylidene-1H-2-benzofuran-5-yl)urea
MOLECULAR FORMULA: C16H14N2O5S
MOLECULAR WEIGHT: 346.35776
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC3=C(COC3=O)C=C2
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-naphthyl)urea
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-naphthalenyl)urea
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-naphthalen-2-ylurea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-naphthalen-2-yl-urea
MOLECULAR FORMULA: C19H16N2O3
MOLECULAR WEIGHT: 320.34194
SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzyloxyphenyl)urea
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylmethoxyphenyl)urea
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylmethoxyphenyl)urea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylmethoxyphenyl)urea
MOLECULAR FORMULA: C22H20N2O4
MOLECULAR WEIGHT: 376.4052
SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C16H13F3N2O4
MOLECULAR WEIGHT: 354.28063
SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dibromo-4-isopropyl-phenyl)urea
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dibromo-4-propan-2-ylphenyl)urea
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dibromo-4-propan-2-ylphenyl)urea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]urea
MOLECULAR FORMULA: C18H18Br2N2O3
MOLECULAR WEIGHT: 470.15512
SMILES: CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NCC2=CC3=C(C=C2)OCO3)Br
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Product OPENEYE NAME: 4-hydroxy-N-indan-2-yl-butanamide
CAS Name: N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide
IUPAC NAME: N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide
SYSTEMATIC NAME: N-(2,3-dihydro-1H-inden-2-yl)-4-oxidanyl-butanamide
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C1C(CC2=CC=CC=C21)NC(=O)CCCO
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Product OPENEYE NAME: 1-(2,6-dibromo-4-isopropyl-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CAS Name: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
IUPAC NAME: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
SYSTEMATIC NAME: 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
MOLECULAR FORMULA: C24H21Br2N3OS
MOLECULAR WEIGHT: 559.31604
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)NC4=C(C=C(C=C4Br)C(C)C)Br
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Product OPENEYE NAME: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C18H16N2O4S
MOLECULAR WEIGHT: 356.39564
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COCC(=O)O
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Product OPENEYE NAME: 1-benzhydryl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine
CAS Name: 1-(diphenylmethyl)-4-(3-methyl-5-nitro-4-imidazolyl)piperazine
IUPAC NAME: 1-benzhydryl-4-(3-methyl-5-nitroimidazol-4-yl)piperazine
SYSTEMATIC NAME: 1-(diphenylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine
MOLECULAR FORMULA: C21H23N5O2
MOLECULAR WEIGHT: 377.43962
SMILES: CN1C=NC(=C1N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(3-methyl-5-nitro-imidazol-4-yl)piperidine-4-carboxamide
CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-piperidinecarboxamide
IUPAC NAME: 1-(3-methyl-5-nitroimidazol-4-yl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(3-methyl-5-nitro-imidazol-4-yl)piperidine-4-carboxamide
MOLECULAR FORMULA: C10H15N5O3
MOLECULAR WEIGHT: 253.2578
SMILES: CN1C=NC(=C1N2CCC(CC2)C(=O)N)[N+](=O)[O-]
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Product OPENEYE NAME: N-indan-2-yl-3-methyl-5-nitro-imidazol-4-amine
CAS Name: N-(2,3-dihydro-1H-inden-2-yl)-3-methyl-5-nitro-4-imidazolamine
IUPAC NAME: N-(2,3-dihydro-1H-inden-2-yl)-3-methyl-5-nitroimidazol-4-amine
SYSTEMATIC NAME: N-(2,3-dihydro-1H-inden-2-yl)-3-methyl-5-nitro-imidazol-4-amine
MOLECULAR FORMULA: C13H14N4O2
MOLECULAR WEIGHT: 258.27586
SMILES: CN1C=NC(=C1NC2CC3=CC=CC=C3C2)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine
CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
IUPAC NAME: 1-(3-methyl-5-nitroimidazol-4-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
SYSTEMATIC NAME: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
MOLECULAR FORMULA: C14H15F3N6O2
MOLECULAR WEIGHT: 356.30311
SMILES: CN1C=NC(=C1N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 2-methyl-N-[4-(2-methylthiazol-4-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CAS Name: 2-methyl-N-[4-(2-methyl-4-thiazolyl)phenyl]-6-(trifluoromethyl)-3-pyridinecarboxamide
IUPAC NAME: 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SYSTEMATIC NAME: 2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C18H14F3N3OS
MOLECULAR WEIGHT: 377.38347
SMILES: CC1=C(C=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)C
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Product OPENEYE NAME: N-[4-(2-methylthiazol-4-yl)phenyl]furan-2-carboxamide
CAS Name: N-[4-(2-methyl-4-thiazolyl)phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C15H12N2O2S
MOLECULAR WEIGHT: 284.33298
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: 4-(3-chloro-2-cyano-phenoxy)-N-[4-(2-methylthiazol-4-yl)phenyl]benzenesulfonamide
CAS Name: 4-(3-chloro-2-cyanophenoxy)-N-[4-(2-methyl-4-thiazolyl)phenyl]benzenesulfonamide
IUPAC NAME: 4-(3-chloro-2-cyanophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SYSTEMATIC NAME: 4-(3-chloranyl-2-cyano-phenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C23H16ClN3O3S2
MOLECULAR WEIGHT: 481.97444
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N
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Product OPENEYE NAME: N-[4-(2-methylthiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CAS Name: N-[4-(2-methyl-4-thiazolyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
IUPAC NAME: N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SYSTEMATIC NAME: N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyloxy)benzenesulfonamide
MOLECULAR FORMULA: C17H13F3N2O3S2
MOLECULAR WEIGHT: 414.42193
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: N-[2-chloro-4-[[4-(2-methylthiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CAS Name: N-[2-chloro-4-[[4-(2-methyl-4-thiazolyl)phenyl]sulfamoyl]phenyl]acetamide
IUPAC NAME: N-[2-chloro-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[2-chloranyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C18H16ClN3O3S2
MOLECULAR WEIGHT: 421.92094
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)Cl
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Product OPENEYE NAME: 2-[2-[4-(2-methylthiazol-4-yl)anilino]-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-[4-(2-methyl-4-thiazolyl)anilino]-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C14H14N2O4S
MOLECULAR WEIGHT: 306.33696
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)COCC(=O)O
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Product OPENEYE NAME: 3,3-dimethyl-5-[4-(2-methylthiazol-4-yl)anilino]-5-oxo-pentanoic acid
CAS Name: 3,3-dimethyl-5-[4-(2-methyl-4-thiazolyl)anilino]-5-oxopentanoic acid
IUPAC NAME: 3,3-dimethyl-5-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-5-oxopentanoic acid
SYSTEMATIC NAME: 3,3-dimethyl-5-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C17H20N2O3S
MOLECULAR WEIGHT: 332.4173
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CC(C)(C)CC(=O)O
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Product OPENEYE NAME: N-(2-benzoyl-4-chloro-phenyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CAS Name: N-(2-benzoyl-4-chlorophenyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
IUPAC NAME: N-(2-benzoyl-4-chlorophenyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
SYSTEMATIC NAME: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
MOLECULAR FORMULA: C21H14ClN3O3
MOLECULAR WEIGHT: 391.80716
SMILES: CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: N-(2-benzoyl-4-chloro-phenyl)-4-chloro-N-methyl-benzamide
CAS Name: N-(2-benzoyl-4-chlorophenyl)-4-chloro-N-methylbenzamide
IUPAC NAME: N-(2-benzoyl-4-chlorophenyl)-4-chloro-N-methylbenzamide
SYSTEMATIC NAME: 4-chloranyl-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-N-methyl-benzamide
MOLECULAR FORMULA: C21H15Cl2NO2
MOLECULAR WEIGHT: 384.2553
SMILES: CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: benzyl 4-[[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]carbamoyl]piperidine-1-carboxylate
CAS Name: 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
MOLECULAR FORMULA: C26H31ClFN3O3
MOLECULAR WEIGHT: 487.994043
SMILES: C1CN(CCC1C(=O)NC2CCN(CC2)CC3=C(C=CC=C3Cl)F)C(=O)OCC4=CC=CC=C4
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Product OPENEYE NAME: benzyl 4-[(2-chloro-4-morpholino-phenyl)carbamoyl]piperidine-1-carboxylate
CAS Name: 4-[[2-chloro-4-(4-morpholinyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-[(2-chloro-4-morpholin-4-ylphenyl)carbamoyl]piperidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-[(2-chloranyl-4-morpholin-4-yl-phenyl)carbamoyl]piperidine-1-carboxylate
MOLECULAR FORMULA: C24H28ClN3O4
MOLECULAR WEIGHT: 457.94982
SMILES: C1CN(CCC1C(=O)NC2=C(C=C(C=C2)N3CCOCC3)Cl)C(=O)OCC4=CC=CC=C4
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