Sunday, February 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]-3-cyclopentyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(2-oxolanylmethyl)propanamide
IUPAC NAME: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(oxolan-2-ylmethyl)propanamide
SYSTEMATIC NAME: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-cyclopentyl-N-(oxolan-2-ylmethyl)propanamide
MOLECULAR FORMULA: C29H38N2O6
MOLECULAR WEIGHT: 510.62182
SMILES: CC1=CC=C(O1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(CC4CCCO4)C(=O)CCC5CCCC5
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Product OPENEYE NAME: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]-N-(2-methoxyethyl)-3-phenyl-prop-2-enamide
CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenyl-2-propenamide
IUPAC NAME: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C28H30N2O6
MOLECULAR WEIGHT: 490.5476
SMILES: CC1=CC=C(O1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(CCOC)C(=O)C=CC4=CC=CC=C4
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Product OPENEYE NAME: N-benzyl-N-(2-furylmethyl)-2-[isopropyl-[(3-methoxyphenyl)carbamoyl]amino]acetamide
CAS Name: N-(2-furanylmethyl)-2-[[(3-methoxyanilino)-oxomethyl]-propan-2-ylamino]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-yl-amino]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C25H29N3O4
MOLECULAR WEIGHT: 435.51546
SMILES: CC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CO2)C(=O)NC3=CC(=CC=C3)OC
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Product OPENEYE NAME: N-benzyl-N-[(5-methyl-2-furyl)methyl]-2-[3-morpholinopropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetamide
CAS Name: N-[(5-methyl-2-furanyl)methyl]-2-[3-(4-morpholinyl)propyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SYSTEMATIC NAME: N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C31H41N3O5S
MOLECULAR WEIGHT: 567.73934
SMILES: CC1=CC=C(O1)CN(CC2=CC=CC=C2)C(=O)CN(CCCN3CCOCC3)S(=O)(=O)C4=C(C=C(C=C4C)C)C
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Product OPENEYE NAME: 3-allyl-1H-benzimidazole-2-thione
CAS Name: 3-prop-2-enyl-1H-benzimidazole-2-thione
IUPAC NAME: 3-prop-2-enyl-1H-benzimidazole-2-thione
SYSTEMATIC NAME: 3-prop-2-enyl-1H-benzimidazole-2-thione
MOLECULAR FORMULA: C10H10N2S
MOLECULAR WEIGHT: 190.2648
SMILES: C=CCN1C2=CC=CC=C2NC1=S
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Product OPENEYE NAME: 2-[4-[[[2-(1-naphthyl)acetyl]hydrazono]methyl]phenoxy]acetic acid
CAS Name: 2-[4-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazinylidene]methyl]phenoxy]acetic acid
IUPAC NAME: 2-[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-[(2-naphthalen-1-ylethanoylhydrazinylidene)methyl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C21H18N2O4
MOLECULAR WEIGHT: 362.37862
SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)NN=CC3=CC=C(C=C3)OCC(=O)O
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Product OPENEYE NAME: [4-[[[2-(4-benzyloxyphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-butoxybenzoate
CAS Name: 4-butoxybenzoic acid [2-methoxy-4-[[[1-oxo-2-(4-phenylmethoxyphenoxy)ethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
SYSTEMATIC NAME: [2-methoxy-4-[[2-(4-phenylmethoxyphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate
MOLECULAR FORMULA: C34H34N2O7
MOLECULAR WEIGHT: 582.64296
SMILES: CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4)OC
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Product OPENEYE NAME: 4-(4-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CAS Name: 4-(4-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
IUPAC NAME: 4-(4-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-(4-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
MOLECULAR FORMULA: C14H15ClN2O
MOLECULAR WEIGHT: 262.7347
SMILES: C1CCC2C(C1)C(=NNC2=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 5-(4-chlorophenyl)-2-(4-ethylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CAS Name: 5-(4-chlorophenyl)-2-(4-ethylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
IUPAC NAME: 5-(4-chlorophenyl)-2-(4-ethylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SYSTEMATIC NAME: 5-(4-chlorophenyl)-2-(4-ethylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
MOLECULAR FORMULA: C24H21ClN2O
MOLECULAR WEIGHT: 388.88934
SMILES: CCC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: methyl 2-[(4-acetoxy-3-ethoxy-phenyl)methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS Name: 2-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 2-[(4-acetyloxy-3-ethoxy-phenyl)methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C26H24N2O6S
MOLECULAR WEIGHT: 492.54356
SMILES: CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=CC=C4)OC(=O)C
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Product OPENEYE NAME: trimethyl-[2-(2,4,6-triiodophenoxy)ethyl]ammonium
CAS Name: trimethyl-[2-(2,4,6-triiodophenoxy)ethyl]ammonium
IUPAC NAME: trimethyl-[2-(2,4,6-triiodophenoxy)ethyl]azanium
SYSTEMATIC NAME: trimethyl-[2-[2,4,6-tris(iodanyl)phenoxy]ethyl]azanium
MOLECULAR FORMULA: C11H15I3NO+
MOLECULAR WEIGHT: 557.95631
SMILES: C[N+](C)(C)CCOC1=C(C=C(C=C1I)I)I
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Product OPENEYE NAME: (17-acetyl-10,13,16-trimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
CAS Name: acetic acid (17-acetyl-10,13,16-trimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) ester
IUPAC NAME: (17-acetyl-10,13,16-trimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
SYSTEMATIC NAME: (17-ethanoyl-10,13,16-trimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) ethanoate
MOLECULAR FORMULA: C24H34O3
MOLECULAR WEIGHT: 370.52496
SMILES: CC1=C(C2(CC=C3C(C2C1)CCC4C3(CCC(C4)OC(=O)C)C)C)C(=O)C
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Product OPENEYE NAME: 5-amino-2-(4-chloro-3-methyl-phenoxy)benzenesulfonate
CAS Name: 5-amino-2-(4-chloro-3-methylphenoxy)benzenesulfonate
IUPAC NAME: 5-amino-2-(4-chloro-3-methylphenoxy)benzenesulfonate
SYSTEMATIC NAME: 5-azanyl-2-(4-chloranyl-3-methyl-phenoxy)benzenesulfonate
MOLECULAR FORMULA: C13H11ClNO4S-
MOLECULAR WEIGHT: 312.74874
SMILES: CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)N)S(=O)(=O)[O-])Cl
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Product OPENEYE NAME: 5-amino-2-(4-chloro-3-methyl-phenoxy)benzenesulfonic acid
CAS Name: 5-amino-2-(4-chloro-3-methylphenoxy)benzenesulfonic acid
IUPAC NAME: 5-amino-2-(4-chloro-3-methylphenoxy)benzenesulfonic acid
SYSTEMATIC NAME: 5-azanyl-2-(4-chloranyl-3-methyl-phenoxy)benzenesulfonic acid
MOLECULAR FORMULA: C13H12ClNO4S
MOLECULAR WEIGHT: 313.75668
SMILES: CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)N)S(=O)(=O)O)Cl
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Product OPENEYE NAME: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-[5-[(4-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-[5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
IUPAC NAME: 2-amino-1-(4-bromo-2-fluorophenyl)-4-[5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-[5-[(4-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile
MOLECULAR FORMULA: C31H26Br2FN3O2
MOLECULAR WEIGHT: 651.363443
SMILES: CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N)COC5=CC=C(C=C5)Br)C
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Product OPENEYE NAME: ethyl 2-[3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoylamino]-5-phenyl-thiophene-3-carboxylate
CAS Name: 2-[[3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoylamino]-5-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]-3-methoxy-phenyl]prop-2-enoylamino]-5-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C30H25Cl2NO5S
MOLECULAR WEIGHT: 582.4942
SMILES: CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C=CC3=CC(=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)OC
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Product OPENEYE NAME: 3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]-N-(4-phenylthiazol-2-yl)prop-2-enamide
CAS Name: 3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenyl-2-thiazolyl)-2-propenamide
IUPAC NAME: 3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SYSTEMATIC NAME: 3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]-3-methoxy-phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
MOLECULAR FORMULA: C26H20Cl2N2O3S
MOLECULAR WEIGHT: 511.4196
SMILES: COC1=C(C=CC(=C1)C=CC(=O)NC2=NC(=CS2)C3=CC=CC=C3)OCC4=C(C=CC=C4Cl)Cl
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Product OPENEYE NAME: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]prop-2-enamide
CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2-propenamide
IUPAC NAME: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SYSTEMATIC NAME: 3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]-3-methoxy-phenyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MOLECULAR FORMULA: C26H22Cl2N2O3S
MOLECULAR WEIGHT: 513.43548
SMILES: COC1=C(C=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)OCC4=C(C=CC=C4Cl)Cl
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