Thursday, July 5, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H54N2O3
MOLECULAR WEIGHT: 694.94326
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2C)/C=C/3\C(=C/4\CC5CC6CC5CC4C6)\C(=O)OC3=O)C)/C=C/C7=CC=C(C=C7)N(CC)CC
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Product OPENEYE NAME: 2-[(E)-2-[3,5-bis[(E)-2-[4-(diethylamino)phenyl]vinyl]-2,6-dimethyl-phenyl]-1-ethoxycarbonyl-vinyl]-3-methyl-but-2-enoic acid
CAS Name: 2-[(E)-1-[3,5-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2,6-dimethylphenyl]-3-ethoxy-3-oxoprop-1-en-2-yl]-3-methyl-2-butenoic acid
IUPAC NAME: 2-[(E)-1-[3,5-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2,6-dimethylphenyl]-3-ethoxy-3-oxoprop-1-en-2-yl]-3-methylbut-2-enoic acid
SYSTEMATIC NAME: 2-[(E)-1-[3,5-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2,6-dimethyl-phenyl]-3-ethoxy-3-oxidanylidene-prop-1-en-2-yl]-3-methyl-but-2-enoic acid
MOLECULAR FORMULA: C42H52N2O4
MOLECULAR WEIGHT: 648.87328
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2C)/C=C(\C(=C(C)C)C(=O)O)/C(=O)OCC)C)/C=C/C3=CC=C(C=C3)N(CC)CC
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MOLECULAR FORMULA: C48H58N2O4
MOLECULAR WEIGHT: 726.98512
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2C)/C=C(\C(=C\3/CC4CC5CC4CC3C5)\C(=O)O)/C(=O)OC)C)/C=C/C6=CC=C(C=C6)N(CC)CC
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Product OPENEYE NAME: (2E)-2-[[3,5-bis[(E)-2-[4-(diethylamino)phenyl]vinyl]-2,6-dimethyl-phenyl]methylene]-3-isopropylidene-butanedioic acid
CAS Name: (2E)-2-[[3,5-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2,6-dimethylphenyl]methylidene]-3-propan-2-ylidenebutanedioic acid
IUPAC NAME: (2E)-2-[[3,5-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2,6-dimethylphenyl]methylidene]-3-propan-2-ylidenebutanedioic acid
SYSTEMATIC NAME: (2E)-2-[[3,5-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2,6-dimethyl-phenyl]methylidene]-3-propan-2-ylidene-butanedioic acid
MOLECULAR FORMULA: C40H48N2O4
MOLECULAR WEIGHT: 620.82012
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2C)/C=C(\C(=C(C)C)C(=O)O)/C(=O)O)C)/C=C/C3=CC=C(C=C3)N(CC)CC
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C47H56N2O4
MOLECULAR WEIGHT: 712.95854
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2C)/C=C(\C(=C\3/CC4CC5CC4CC3C5)\C(=O)O)/C(=O)O)C)/C=C/C6=CC=C(C=C6)N(CC)CC
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Product OPENEYE NAME: (3E)-3-[[3,5-bis[(E)-2-[4-(diethylamino)phenyl]vinyl]-2,6-dimethyl-phenyl]methylene]-4-isopropylidene-tetrahydrofuran-2,5-dione
CAS Name: (3E)-3-[[3,5-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2,6-dimethylphenyl]methylidene]-4-propan-2-ylideneoxolane-2,5-dione
IUPAC NAME: (3E)-3-[[3,5-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2,6-dimethylphenyl]methylidene]-4-propan-2-ylideneoxolane-2,5-dione
SYSTEMATIC NAME: (3E)-3-[[3,5-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2,6-dimethyl-phenyl]methylidene]-4-propan-2-ylidene-oxolane-2,5-dione
MOLECULAR FORMULA: C40H46N2O3
MOLECULAR WEIGHT: 602.80484
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2C)/C=C/3\C(=C(C)C)C(=O)OC3=O)C)/C=C/C4=CC=C(C=C4)N(CC)CC
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Product OPENEYE NAME: N,N-dimethyl-5-phenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CAS Name: N,N-dimethyl-5-phenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
IUPAC NAME: N,N-dimethyl-5-phenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SYSTEMATIC NAME: N,N-dimethyl-5-phenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
MOLECULAR FORMULA: C12H12N6
MOLECULAR WEIGHT: 240.26388
SMILES: CN(C)C1=NC(=NC2=NC=NN21)C3=CC=CC=C3
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Product OPENEYE NAME: N,N-dimethyl-2-phenyl-[1,3,5]triazino[1,2-a]benzimidazol-4-amine
CAS Name: N,N-dimethyl-2-phenyl-[1,3,5]triazino[1,2-a]benzimidazol-4-amine
IUPAC NAME: N,N-dimethyl-2-phenyl-[1,3,5]triazino[1,2-a]benzimidazol-4-amine
SYSTEMATIC NAME: N,N-dimethyl-2-phenyl-[1,3,5]triazino[1,2-a]benzimidazol-4-amine
MOLECULAR FORMULA: C17H15N5
MOLECULAR WEIGHT: 289.3345
SMILES: CN(C)C1=NC(=NC2=NC3=CC=CC=C3N21)C4=CC=CC=C4
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Product OPENEYE NAME: 4H-imidazo[1,5-a]indole
CAS Name: 4H-imidazo[1,5-a]indole
IUPAC NAME: 4H-imidazo[1,5-a]indole
SYSTEMATIC NAME: 4H-imidazo[1,5-a]indole
MOLECULAR FORMULA: C10H8N2
MOLECULAR WEIGHT: 156.18392
SMILES: C1C2=CC=CC=C2N3C1=CN=C3
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C14H10O7
MOLECULAR WEIGHT: 290.225
SMILES: COC1=C2C(=O)C=C(OC2=C3C4CC(=O)OC4OC3=C1)O
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Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: C1CC2=C3C(=CC=C2)O[C@H]([C@]3(C1)O)C#N
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Product OPENEYE NAME: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-amino-4-phenyl-4H-benzo[h]chromene-3-carboxylate
CAS Name: 2-amino-4-phenyl-4H-benzo[h][1]benzopyran-3-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester
IUPAC NAME: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-amino-4-phenyl-4H-benzo[h]chromene-3-carboxylate
SYSTEMATIC NAME: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-azanyl-4-phenyl-4H-benzo[h]chromene-3-carboxylate
MOLECULAR FORMULA: C30H33NO3
MOLECULAR WEIGHT: 455.58792
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(OC3=C(C2C4=CC=CC=C4)C=CC5=CC=CC=C53)N)C(C)C
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Product OPENEYE NAME: 5-methyl-2-phenyl-3-propyl-morpholine
CAS Name: 5-methyl-2-phenyl-3-propylmorpholine
IUPAC NAME: 5-methyl-2-phenyl-3-propylmorpholine
SYSTEMATIC NAME: 5-methyl-2-phenyl-3-propyl-morpholine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CCCC1C(OCC(N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: 5-methyl-2-phenyl-3-propyl-morpholin-2-ol
CAS Name: 5-methyl-2-phenyl-3-propyl-2-morpholinol
IUPAC NAME: 5-methyl-2-phenyl-3-propylmorpholin-2-ol
SYSTEMATIC NAME: 5-methyl-2-phenyl-3-propyl-morpholin-2-ol
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CCCC1C(OCC(N1)C)(C2=CC=CC=C2)O
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Product OPENEYE NAME: (2S)-2-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-1-phenyl-butan-1-ol
CAS Name: (2S)-2-[[(2R)-1-hydroxypropan-2-yl]amino]-1-phenyl-1-butanol
IUPAC NAME: (2S)-2-[[(2R)-1-hydroxypropan-2-yl]amino]-1-phenylbutan-1-ol
SYSTEMATIC NAME: (2S)-2-[[(2R)-1-oxidanylpropan-2-yl]amino]-1-phenyl-butan-1-ol
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: CC[C@@H](C(C1=CC=CC=C1)O)N[C@H](C)CO
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Product OPENEYE NAME: N-(4-methyl-2-methylsulfanyl-imidazol-1-yl)-1-phenyl-methanimine
CAS Name: N-[4-methyl-2-(methylthio)-1-imidazolyl]-1-phenylmethanimine
IUPAC NAME: N-(4-methyl-2-methylsulfanylimidazol-1-yl)-1-phenylmethanimine
SYSTEMATIC NAME: N-(4-methyl-2-methylsulfanyl-imidazol-1-yl)-1-phenyl-methanimine
MOLECULAR FORMULA: C12H13N3S
MOLECULAR WEIGHT: 231.31672
SMILES: CC1=CN(C(=N1)SC)/N=C\C2=CC=CC=C2
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Product OPENEYE NAME: N-(5-deuterio-2-methylsulfanyl-4-phenyl-imidazol-1-yl)-1-phenyl-methanimine
CAS Name: N-[5-deuterio-2-(methylthio)-4-phenyl-1-imidazolyl]-1-phenylmethanimine
IUPAC NAME: N-(5-deuterio-2-methylsulfanyl-4-phenylimidazol-1-yl)-1-phenylmethanimine
SYSTEMATIC NAME: N-(5-deuterio-2-methylsulfanyl-4-phenyl-imidazol-1-yl)-1-phenyl-methanimine
MOLECULAR FORMULA: C17H15N3S
MOLECULAR WEIGHT: 294.392262
SMILES: [2H]C1=C(N=C(N1/N=C/C2=CC=CC=C2)SC)C3=CC=CC=C3
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Product OPENEYE NAME: [(2S,4R)-2-[(1-benzoylimidazol-2-yl)methyl]-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
CAS Name: benzoic acid [(2S,4R)-2-[(1-benzoyl-2-imidazolyl)methyl]-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl ester
IUPAC NAME: [(2S,4R)-2-[(1-benzoylimidazol-2-yl)methyl]-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
SYSTEMATIC NAME: [(2S,4R)-2-(4-chlorophenyl)-2-[[1-(phenylcarbonyl)imidazol-2-yl]methyl]-1,3-dioxolan-4-yl]methyl benzoate
MOLECULAR FORMULA: C28H23ClN2O5
MOLECULAR WEIGHT: 502.94562
SMILES: C1[C@@H](O[C@@](O1)(CC2=NC=CN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)COC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: [(2S,4R)-2-[2-(1-benzoylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
CAS Name: benzoic acid [(2S,4R)-2-[2-(1-benzoyl-2-imidazolyl)ethyl]-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl ester
IUPAC NAME: [(2S,4R)-2-[2-(1-benzoylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
SYSTEMATIC NAME: [(2S,4R)-2-(4-chlorophenyl)-2-[2-[1-(phenylcarbonyl)imidazol-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl benzoate
MOLECULAR FORMULA: C29H25ClN2O5
MOLECULAR WEIGHT: 516.9722
SMILES: C1[C@@H](O[C@@](O1)(CCC2=NC=CN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)COC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: [(2S,4R)-2-[3-(1-benzoylimidazol-2-yl)propyl]-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
CAS Name: benzoic acid [(2S,4R)-2-[3-(1-benzoyl-2-imidazolyl)propyl]-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl ester
IUPAC NAME: [(2S,4R)-2-[3-(1-benzoylimidazol-2-yl)propyl]-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
SYSTEMATIC NAME: [(2S,4R)-2-(4-chlorophenyl)-2-[3-[1-(phenylcarbonyl)imidazol-2-yl]propyl]-1,3-dioxolan-4-yl]methyl benzoate
MOLECULAR FORMULA: C30H27ClN2O5
MOLECULAR WEIGHT: 530.99878
SMILES: C1[C@@H](O[C@@](O1)(CCCC2=NC=CN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)COC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: [2-[2-[(dimethylamino)methyl]pyrrol-1-yl]-3-thienyl]-(4-fluorophenyl)methanone oxime
CAS Name: [2-[2-[(dimethylamino)methyl]-1-pyrrolyl]-3-thiophenyl]-(4-fluorophenyl)methanone oxime
IUPAC NAME: (NE)-N-[[2-[2-[(dimethylamino)methyl]pyrrol-1-yl]thiophen-3-yl]-(4-fluorophenyl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[[2-[2-[(dimethylamino)methyl]pyrrol-1-yl]thiophen-3-yl]-(4-fluorophenyl)methylidene]hydroxylamine
MOLECULAR FORMULA: C18H18FN3OS
MOLECULAR WEIGHT: 343.418423
SMILES: CN(C)CC1=CC=CN1C2=C(C=CS2)/C(=N/O)/C3=CC=C(C=C3)F
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Product OPENEYE NAME: [1-[3-[(E)-C-(4-fluorophenyl)-N-hydroxy-carbonimidoyl]-2-thienyl]pyrrol-2-yl]methyl-trimethyl-ammonium
CAS Name: [1-[3-[(E)-(4-fluorophenyl)-hydroxyiminomethyl]-2-thiophenyl]-2-pyrrolyl]methyl-trimethylammonium
IUPAC NAME: [1-[3-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]thiophen-2-yl]pyrrol-2-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [1-[3-[(E)-C-(4-fluorophenyl)-N-oxidanyl-carbonimidoyl]thiophen-2-yl]pyrrol-2-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C19H21FN3OS+
MOLECULAR WEIGHT: 358.452943
SMILES: C[N+](C)(C)CC1=CC=CN1C2=C(C=CS2)/C(=N/O)/C3=CC=C(C=C3)F
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Product OPENEYE NAME: phenyl-(2-pyrrol-1-yl-3-thienyl)methanone
CAS Name: phenyl-[2-(1-pyrrolyl)-3-thiophenyl]methanone
IUPAC NAME: phenyl-(2-pyrrol-1-ylthiophen-3-yl)methanone
SYSTEMATIC NAME: phenyl-(2-pyrrol-1-ylthiophen-3-yl)methanone
MOLECULAR FORMULA: C15H11NOS
MOLECULAR WEIGHT: 253.31894
SMILES: C1=CC=C(C=C1)C(=O)C2=C(SC=C2)N3C=CC=C3
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Product OPENEYE NAME: (4-fluorophenyl)-(2-pyrrol-1-yl-3-thienyl)methanone
CAS Name: (4-fluorophenyl)-[2-(1-pyrrolyl)-3-thiophenyl]methanone
IUPAC NAME: (4-fluorophenyl)-(2-pyrrol-1-ylthiophen-3-yl)methanone
SYSTEMATIC NAME: (4-fluorophenyl)-(2-pyrrol-1-ylthiophen-3-yl)methanone
MOLECULAR FORMULA: C15H10FNOS
MOLECULAR WEIGHT: 271.309403
SMILES: C1=CN(C=C1)C2=C(C=CS2)C(=O)C3=CC=C(C=C3)F
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