Thursday, March 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [4-[6-bromo-2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]-tetrahydrofuran-2-yl-methanone
CAS Name: [4-[[6-bromo-2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]-(2-oxolanyl)methanone
IUPAC NAME: [4-[6-bromo-2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SYSTEMATIC NAME: [4-[6-bromanyl-2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperazin-1-yl]-(oxolan-2-yl)methanone
MOLECULAR FORMULA: C25H23BrClN3O3
MOLECULAR WEIGHT: 528.82542
SMILES: C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: N-cyclopropyl-3-methyl-5-[(3-methyl-1-piperidyl)sulfonyl]benzofuran-2-carboxamide
CAS Name: N-cyclopropyl-3-methyl-5-[(3-methyl-1-piperidinyl)sulfonyl]-2-benzofurancarboxamide
IUPAC NAME: N-cyclopropyl-3-methyl-5-(3-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: N-cyclopropyl-3-methyl-5-(3-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C19H24N2O4S
MOLECULAR WEIGHT: 376.46986
SMILES: CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)NC4CC4
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Product OPENEYE NAME: N-[2-[[2-methyl-1-(1-naphthylcarbamoyl)butyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[3-methyl-1-(1-naphthalenylamino)-1-oxopentan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[3-methyl-1-(naphthalen-1-ylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[3-methyl-1-(naphthalen-1-ylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C28H27N3O4
MOLECULAR WEIGHT: 469.53168
SMILES: CCC(C)C(C(=O)NC1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4
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Product OPENEYE NAME: 2-(2-chloro-4-nitro-phenoxy)-N-(4-methoxy-2-nitro-phenyl)acetamide
CAS Name: 2-(2-chloro-4-nitrophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
IUPAC NAME: 2-(2-chloro-4-nitrophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
SYSTEMATIC NAME: 2-(2-chloranyl-4-nitro-phenoxy)-N-(4-methoxy-2-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C15H12ClN3O7
MOLECULAR WEIGHT: 381.72468
SMILES: COC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H17N3O4
MOLECULAR WEIGHT: 387.38808
SMILES: CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)O)C(=O)N(C1=O)C
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Product OPENEYE NAME: 2,6-dimethyl-N-[2,2,2-trichloro-1-(3-fluoro-4-methoxy-phenyl)ethyl]morpholine-4-carboxamide
CAS Name: 2,6-dimethyl-N-[2,2,2-trichloro-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-morpholinecarboxamide
IUPAC NAME: 2,6-dimethyl-N-[2,2,2-trichloro-1-(3-fluoro-4-methoxyphenyl)ethyl]morpholine-4-carboxamide
SYSTEMATIC NAME: 2,6-dimethyl-N-[2,2,2-tris(chloranyl)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]morpholine-4-carboxamide
MOLECULAR FORMULA: C16H20Cl3FN2O3
MOLECULAR WEIGHT: 413.699003
SMILES: CC1CN(CC(O1)C)C(=O)NC(C2=CC(=C(C=C2)OC)F)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 1,7-dibromo-3-(dibromomethyl)-3,4-dimethyl-norbornan-2-one
CAS Name: 4,7-dibromo-2-(dibromomethyl)-1,2-dimethyl-3-bicyclo[2.2.1]heptanone
IUPAC NAME: 4,7-dibromo-2-(dibromomethyl)-1,2-dimethylbicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: 2-[bis(bromanyl)methyl]-4,7-bis(bromanyl)-1,2-dimethyl-bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C10H12Br4O
MOLECULAR WEIGHT: 467.81768
SMILES: CC12CCC(C1Br)(C(=O)C2(C)C(Br)Br)Br
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Product OPENEYE NAME: O2-tert-butyl O4-ethyl 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoylamino)-3-methyl-thiophene-2,4-dicarboxylate
CAS Name: 5-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-oxononyl)amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester
IUPAC NAME: 2-O-tert-butyl 4-O-ethyl 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoylamino)-3-methylthiophene-2,4-dicarboxylate
SYSTEMATIC NAME: O2-tert-butyl O4-ethyl 5-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanoylamino]-3-methyl-thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C22H19F16NO5S
MOLECULAR WEIGHT: 713.429411
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 2-methyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]propanamide
CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-methylpropanamide
IUPAC NAME: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C17H22N2OS
MOLECULAR WEIGHT: 302.43438
SMILES: CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)C
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Product OPENEYE NAME: methyl 2-(2,2-dimethylpropanoylamino)-4-(p-tolyl)thiophene-3-carboxylate
CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-(2,2-dimethylpropanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-(2,2-dimethylpropanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C18H21NO3S
MOLECULAR WEIGHT: 331.42924
SMILES: CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C)(C)C
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Product OPENEYE NAME: N2,N5-bis(2-ethylphenyl)pyridine-2,5-dicarboxamide
CAS Name: N2,N5-bis(2-ethylphenyl)pyridine-2,5-dicarboxamide
IUPAC NAME: 2-N,5-N-bis(2-ethylphenyl)pyridine-2,5-dicarboxamide
SYSTEMATIC NAME: N2,N5-bis(2-ethylphenyl)pyridine-2,5-dicarboxamide
MOLECULAR FORMULA: C23H23N3O2
MOLECULAR WEIGHT: 373.44762
SMILES: CCC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=CC=C3CC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H20IN3O5
MOLECULAR WEIGHT: 629.40137
SMILES: C1C=C2C(CC3=C(C2C4=CC=C(C5=CC=CC=C45)O)C(=O)C(=CC3=O)I)N6N1C(=O)N(C6=O)C7=CC=CC=C7
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Product OPENEYE NAME: 2-(4-acetylphenyl)-6a,9a-dichloro-6-(3-fluoro-2-hydroxy-phenyl)-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-(4-acetylphenyl)-6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-(4-acetylphenyl)-6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-2-(4-ethanoylphenyl)-6-(3-fluoranyl-2-oxidanyl-phenyl)-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C34H24Cl2F2N2O6
MOLECULAR WEIGHT: 665.466966
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5(C(=O)N(C(=O)C5(C4C6=C(C(=CC=C6)F)O)Cl)C7=CC=C(C=C7)F)Cl
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Product OPENEYE NAME: 6a,9a-dichloro-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-8-(4-fluorophenyl)-6-(2-hydroxy-4,6-dimethoxy-phenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a,9a-dichloro-2-[4-(dimethylamino)-3,5-dinitrophenyl]-8-(4-fluorophenyl)-6-(2-hydroxy-4,6-dimethoxyphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a,9a-dichloro-2-[4-(dimethylamino)-3,5-dinitrophenyl]-8-(4-fluorophenyl)-6-(2-hydroxy-4,6-dimethoxyphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-(2,4-dimethoxy-6-oxidanyl-phenyl)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C36H30Cl2FN5O11
MOLECULAR WEIGHT: 798.554703
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C3CC=C4C(C3C2=O)CC5(C(=O)N(C(=O)C5(C4C6=C(C=C(C=C6OC)OC)O)Cl)C7=CC=C(C=C7)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[6-(5-bromo-2-hydroxy-3-methoxy-phenyl)-6a,9a-dichloro-8-(4-fluorophenyl)-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]propanoic acid
CAS Name: 3-[6-(5-bromo-2-hydroxy-3-methoxyphenyl)-6a,9a-dichloro-8-(4-fluorophenyl)-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]propanoic acid
IUPAC NAME: 3-[6-(5-bromo-2-hydroxy-3-methoxyphenyl)-6a,9a-dichloro-8-(4-fluorophenyl)-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]propanoic acid
SYSTEMATIC NAME: 3-[6-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-6a,9a-bis(chloranyl)-8-(4-fluorophenyl)-1,3,7,9-tetrakis(oxidanylidene)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]propanoic acid
MOLECULAR FORMULA: C30H24BrCl2FN2O8
MOLECULAR WEIGHT: 710.328563
SMILES: COC1=C(C(=CC(=C1)Br)C2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CCC(=O)O)O
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Product OPENEYE NAME: [3-[6-(4-benzyloxy-2-hydroxy-phenyl)-6a,9a-dichloro-8-(4-fluorophenyl)-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]phenyl]boronic acid
CAS Name: [3-[6a,9a-dichloro-8-(4-fluorophenyl)-6-(2-hydroxy-4-phenylmethoxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]phenyl]boronic acid
IUPAC NAME: [3-[6a,9a-dichloro-8-(4-fluorophenyl)-6-(2-hydroxy-4-phenylmethoxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]phenyl]boronic acid
SYSTEMATIC NAME: [3-[6a,9a-bis(chloranyl)-8-(4-fluorophenyl)-1,3,7,9-tetrakis(oxidanylidene)-6-(2-oxidanyl-4-phenylmethoxy-phenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]phenyl]boronic acid
MOLECULAR FORMULA: C39H30BCl2FN2O8
MOLECULAR WEIGHT: 755.379503
SMILES: B(C1=CC(=CC=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5(C(=O)N(C(=O)C5(C4C6=C(C=C(C=C6)OCC7=CC=CC=C7)O)Cl)C8=CC=C(C=C8)F)Cl)(O)O
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Product OPENEYE NAME: 6a,9a-dichloro-6-(4-hydroxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-2-propyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a,9a-dichloro-6-(4-hydroxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-2-propyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a,9a-dichloro-6-(4-hydroxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-2-propyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-(4-hydroxyphenyl)-8-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-2-propyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C29H21Cl2F5N2O5
MOLECULAR WEIGHT: 643.385456
SMILES: CCCN1C(=O)C2CC=C3C(C2C1=O)CC4(C(=O)N(C(=O)C4(C3C5=CC=C(C=C5)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl
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