Monday, November 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N,N-diethyl-2-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]ethanamine
CAS Name: N,N-diethyl-2-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine
IUPAC NAME: N,N-diethyl-2-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]ethanamine
MOLECULAR FORMULA: C24H29NO2S
MOLECULAR WEIGHT: 395.55756
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C3=CC=CS3
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Product OPENEYE NAME: 1-[2-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]ethyl]azepane
CAS Name: 1-[2-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]azepane
IUPAC NAME: 1-[2-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]azepane
SYSTEMATIC NAME: 1-[2-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]ethyl]azepane
MOLECULAR FORMULA: C26H31NO2S
MOLECULAR WEIGHT: 421.59484
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCCN3CCCCCC3)C4=CC=CS4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H44N4O8
MOLECULAR WEIGHT: 720.81006
SMILES: CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)OC)C)CCC(=O)OC)C)[C@]6(C3=CC=C([C@H]6C(=O)OC)C(=O)OC)C)C
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Product OPENEYE NAME: 1-[2-[4-[(3-methoxyphenyl)-(2-thienyl)methyl]phenoxy]ethyl]azepane
CAS Name: 1-[2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]azepane
IUPAC NAME: 1-[2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]azepane
SYSTEMATIC NAME: 1-[2-[4-[(3-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]ethyl]azepane
MOLECULAR FORMULA: C26H31NO2S
MOLECULAR WEIGHT: 421.59484
SMILES: COC1=CC=CC(=C1)C(C2=CC=C(C=C2)OCCN3CCCCCC3)C4=CC=CS4
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Product OPENEYE NAME: 2-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]-N,N-dimethyl-ethanamine
CAS Name: 2-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-N,N-dimethylethanamine
IUPAC NAME: 2-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C22H25NO2S
MOLECULAR WEIGHT: 367.5044
SMILES: CN(C)CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C3=CC=CS3
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Product OPENEYE NAME: 3-chloro-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]-1H-indole-6-sulfonamide
CAS Name: 3-chloro-N-[1-[4-[2-[(dimethylamino)methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]-1H-indole-6-sulfonamide
IUPAC NAME: 3-chloro-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]-1H-indole-6-sulfonamide
SYSTEMATIC NAME: 3-chloranyl-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]-1H-indole-6-sulfonamide
MOLECULAR FORMULA: C24H24ClFN6O3S
MOLECULAR WEIGHT: 531.002163
SMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(C=C4)C(=CN5)Cl)F
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Product OPENEYE NAME: 2-(5-chloro-2-thienyl)-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]ethanesulfonamide
CAS Name: 2-(5-chloro-2-thiophenyl)-N-[1-[4-[2-[(dimethylamino)methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]ethanesulfonamide
IUPAC NAME: 2-(5-chlorothiophen-2-yl)-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
SYSTEMATIC NAME: 2-(5-chloranylthiophen-2-yl)-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanesulfonamide
MOLECULAR FORMULA: C22H25ClFN5O3S2
MOLECULAR WEIGHT: 526.047003
SMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)CCC4=CC=C(S4)Cl)F
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Product OPENEYE NAME: sodium 4-(4-acetylanilino)-1-amino-9,10-dioxo-anthracene-2-sulfonate
CAS Name: sodium 4-(4-acetylanilino)-1-amino-9,10-dioxo-2-anthracenesulfonate
IUPAC NAME: sodium 4-(4-acetylanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: sodium 1-azanyl-4-[(4-ethanoylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C22H15N2NaO6S
MOLECULAR WEIGHT: 458.41907
SMILES: CC(=O)C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]
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Product OPENEYE NAME: 4-(4-acetylanilino)-1-amino-9,10-dioxo-anthracene-2-sulfonic acid
CAS Name: 4-(4-acetylanilino)-1-amino-9,10-dioxo-2-anthracenesulfonic acid
IUPAC NAME: 4-(4-acetylanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 1-azanyl-4-[(4-ethanoylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C22H16N2O6S
MOLECULAR WEIGHT: 436.43724
SMILES: CC(=O)C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O
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Product OPENEYE NAME: sodium 1-amino-4-(4-anilinoanilino)-9,10-dioxo-anthracene-2-sulfonate
CAS Name: sodium 1-amino-4-(4-anilinoanilino)-9,10-dioxo-2-anthracenesulfonate
IUPAC NAME: sodium 1-amino-4-(4-anilinoanilino)-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenylazanylphenyl)amino]anthracene-2-sulfonate
MOLECULAR FORMULA: C26H18N3NaO5S
MOLECULAR WEIGHT: 507.49299
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]
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Product OPENEYE NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium chloride
CAS Name: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium chloride
IUPAC NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium chloride
SYSTEMATIC NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C25H18ClFN4
MOLECULAR WEIGHT: 428.888623
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4)C5=CC(=CC=C5)F.[Cl-]
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Product OPENEYE NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium
CAS Name: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium
IUPAC NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium
SYSTEMATIC NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C25H18FN4+
MOLECULAR WEIGHT: 393.435623
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4)C5=CC(=CC=C5)F
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Product OPENEYE NAME: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(3-fluorophenyl)-3-phenyl-tetrazol-3-ium chloride
CAS Name: 2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-3-ium chloride
IUPAC NAME: 2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-3-ium chloride
SYSTEMATIC NAME: 2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-3-phenyl-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C27H22ClFN4O2
MOLECULAR WEIGHT: 488.940583
SMILES: COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC(=CC=C4)F)OCC5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(3-fluorophenyl)-3-phenyl-tetrazol-3-ium
CAS Name: 2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-3-ium
IUPAC NAME: 2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-3-ium
SYSTEMATIC NAME: 2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-3-phenyl-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C27H22FN4O2+
MOLECULAR WEIGHT: 453.487583
SMILES: COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC(=CC=C4)F)OCC5=CC=CC=C5
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Product OPENEYE NAME: 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-indole
CAS Name: 2-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]-1H-indole
IUPAC NAME: 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-indole
SYSTEMATIC NAME: 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-indole
MOLECULAR FORMULA: C15H20N2
MOLECULAR WEIGHT: 228.3327
SMILES: C[C@@H]1CCCN1CCC2=CC3=CC=CC=C3N2
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(3-fluorophenyl)-3-phenyl-tetrazol-3-ium chloride
CAS Name: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
IUPAC NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
SYSTEMATIC NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C26H20ClFN4O
MOLECULAR WEIGHT: 458.914603
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4)C5=CC(=CC=C5)F.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(3-fluorophenyl)-3-phenyl-tetrazol-3-ium
CAS Name: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-3-ium
IUPAC NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-3-ium
SYSTEMATIC NAME: 2-(3-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C26H20FN4O+
MOLECULAR WEIGHT: 423.461603
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4)C5=CC(=CC=C5)F
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Product OPENEYE NAME: (2S)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
CAS Name: (2S)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine
IUPAC NAME: (2S)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine
SYSTEMATIC NAME: (2S)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: C[C@H]1CCCN1CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2R)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
CAS Name: (2R)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine
IUPAC NAME: (2R)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine
SYSTEMATIC NAME: (2R)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: C[C@@H]1CCCN1CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 2-(2-pyrrolidin-1-ylethyl)-1H-indole
CAS Name: 2-[2-(1-pyrrolidinyl)ethyl]-1H-indole
IUPAC NAME: 2-(2-pyrrolidin-1-ylethyl)-1H-indole
SYSTEMATIC NAME: 2-(2-pyrrolidin-1-ylethyl)-1H-indole
MOLECULAR FORMULA: C14H18N2
MOLECULAR WEIGHT: 214.30612
SMILES: C1CCN(C1)CCC2=CC3=CC=CC=C3N2
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Product OPENEYE NAME: 2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1H-indole
CAS Name: 2-[2-[(2S)-2-methyl-1-pyrrolidinyl]ethyl]-1H-indole
IUPAC NAME: 2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1H-indole
SYSTEMATIC NAME: 2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1H-indole
MOLECULAR FORMULA: C15H20N2
MOLECULAR WEIGHT: 228.3327
SMILES: C[C@H]1CCCN1CCC2=CC3=CC=CC=C3N2
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Product OPENEYE NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine; methanesulfonic acid
CAS Name: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-2-imidazo[4,5-b]pyridinamine; methanesulfonic acid
IUPAC NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine; methanesulfonic acid
SYSTEMATIC NAME: 5-[2-[2,6-bis(fluoranyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine; methanesulfonic acid
MOLECULAR FORMULA: C27H28F2N6O3S
MOLECULAR WEIGHT: 554.611426
SMILES: CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O
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Product OPENEYE NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
CAS Name: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-2-imidazo[4,5-b]pyridinamine
IUPAC NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
SYSTEMATIC NAME: 5-[2-[2,6-bis(fluoranyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
MOLECULAR FORMULA: C26H24F2N6
MOLECULAR WEIGHT: 458.505766
SMILES: CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5)N=C1N
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