Wednesday, December 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-3-[2-(4-fluorophenyl)acetyl]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(5S,8S,10aR)-3-[2-(4-fluorophenyl)-1-oxoethyl]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(5S,8S,10aR)-3-[2-(4-fluorophenyl)acetyl]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(5S,8S,10aR)-3-[2-(4-fluorophenyl)ethanoyl]-6-oxidanylidene-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C34H37FN6O3
MOLECULAR WEIGHT: 596.694383
SMILES: C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C3=NC4=C(C=CC=C4N3)C5=CC=CC=C5)C(=O)CC6=CC=C(C=C6)F)NC
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Product OPENEYE NAME: 1-methyl-N-[(3R)-1-[2-(m-tolyl)benzoyl]pyrrolidin-3-yl]indazole-3-carboxamide
CAS Name: 1-methyl-N-[(3R)-1-[[2-(3-methylphenyl)phenyl]-oxomethyl]-3-pyrrolidinyl]-3-indazolecarboxamide
IUPAC NAME: 1-methyl-N-[(3R)-1-[2-(3-methylphenyl)benzoyl]pyrrolidin-3-yl]indazole-3-carboxamide
SYSTEMATIC NAME: 1-methyl-N-[(3R)-1-[2-(3-methylphenyl)phenyl]carbonylpyrrolidin-3-yl]indazole-3-carboxamide
MOLECULAR FORMULA: C27H26N4O2
MOLECULAR WEIGHT: 438.52094
SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)N3CC[C@H](C3)NC(=O)C4=NN(C5=CC=CC=C54)C
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Product OPENEYE NAME: 4-chloro-6-[5-(4-methoxyphenyl)thiadiazol-4-yl]benzene-1,3-diol
CAS Name: 4-chloro-6-[5-(4-methoxyphenyl)-4-thiadiazolyl]benzene-1,3-diol
IUPAC NAME: 4-chloro-6-[5-(4-methoxyphenyl)thiadiazol-4-yl]benzene-1,3-diol
SYSTEMATIC NAME: 4-chloranyl-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
MOLECULAR FORMULA: C15H11ClN2O3S
MOLECULAR WEIGHT: 334.77744
SMILES: COC1=CC=C(C=C1)C2=C(N=NS2)C3=CC(=C(C=C3O)O)Cl
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Product OPENEYE NAME: 4-chloro-6-[5-(p-tolyl)thiadiazol-4-yl]benzene-1,3-diol
CAS Name: 4-chloro-6-[5-(4-methylphenyl)-4-thiadiazolyl]benzene-1,3-diol
IUPAC NAME: 4-chloro-6-[5-(4-methylphenyl)thiadiazol-4-yl]benzene-1,3-diol
SYSTEMATIC NAME: 4-chloranyl-6-[5-(4-methylphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
MOLECULAR FORMULA: C15H11ClN2O2S
MOLECULAR WEIGHT: 318.77804
SMILES: CC1=CC=C(C=C1)C2=C(N=NS2)C3=CC(=C(C=C3O)O)Cl
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Product OPENEYE NAME: 4-chloro-6-[5-(3,4-dimethoxyphenyl)thiadiazol-4-yl]benzene-1,3-diol
CAS Name: 4-chloro-6-[5-(3,4-dimethoxyphenyl)-4-thiadiazolyl]benzene-1,3-diol
IUPAC NAME: 4-chloro-6-[5-(3,4-dimethoxyphenyl)thiadiazol-4-yl]benzene-1,3-diol
SYSTEMATIC NAME: 4-chloranyl-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
MOLECULAR FORMULA: C16H13ClN2O4S
MOLECULAR WEIGHT: 364.80342
SMILES: COC1=C(C=C(C=C1)C2=C(N=NS2)C3=CC(=C(C=C3O)O)Cl)OC
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Product OPENEYE NAME: (6Z)-4-chloro-6-[1-hydrazino-2-(4-methoxyphenyl)ethylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-chloro-6-[1-hydrazinyl-2-(4-methoxyphenyl)ethylidene]-3-hydroxy-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-chloro-6-[1-hydrazinyl-2-(4-methoxyphenyl)ethylidene]-3-hydroxycyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-chloranyl-6-[1-diazanyl-2-(4-methoxyphenyl)ethylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H15ClN2O3
MOLECULAR WEIGHT: 306.7442
SMILES: COC1=CC=C(C=C1)C/C(=C/2\C=C(C(=CC2=O)O)Cl)/NN
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Product OPENEYE NAME: (6Z)-4-chloro-6-[2-(4-ethoxyphenyl)-1-hydrazino-ethylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-chloro-6-[2-(4-ethoxyphenyl)-1-hydrazinylethylidene]-3-hydroxy-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-chloro-6-[2-(4-ethoxyphenyl)-1-hydrazinylethylidene]-3-hydroxycyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-chloranyl-6-[1-diazanyl-2-(4-ethoxyphenyl)ethylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H17ClN2O3
MOLECULAR WEIGHT: 320.77078
SMILES: CCOC1=CC=C(C=C1)C/C(=C/2\C=C(C(=CC2=O)O)Cl)/NN
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Product OPENEYE NAME: (6Z)-4-chloro-6-[1-hydrazino-2-(p-tolyl)ethylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-chloro-6-[1-hydrazinyl-2-(4-methylphenyl)ethylidene]-3-hydroxy-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-chloro-6-[1-hydrazinyl-2-(4-methylphenyl)ethylidene]-3-hydroxycyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-chloranyl-6-[1-diazanyl-2-(4-methylphenyl)ethylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H15ClN2O2
MOLECULAR WEIGHT: 290.7448
SMILES: CC1=CC=C(C=C1)C/C(=C/2\C=C(C(=CC2=O)O)Cl)/NN
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Product OPENEYE NAME: (6Z)-4-chloro-6-[2-(3,4-dimethoxyphenyl)-1-hydrazino-ethylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-chloro-6-[2-(3,4-dimethoxyphenyl)-1-hydrazinylethylidene]-3-hydroxy-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-chloro-6-[2-(3,4-dimethoxyphenyl)-1-hydrazinylethylidene]-3-hydroxycyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-chloranyl-6-[1-diazanyl-2-(3,4-dimethoxyphenyl)ethylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H17ClN2O4
MOLECULAR WEIGHT: 336.77018
SMILES: COC1=C(C=C(C=C1)C/C(=C/2\C=C(C(=CC2=O)O)Cl)/NN)OC
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Product OPENEYE NAME: 3,5-ditert-butyl-4-methoxy-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropyl]benzamide
CAS Name: 3,5-ditert-butyl-4-methoxy-N-[1-[[(4-methoxyphenyl)methylamino]-oxomethyl]cyclopropyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-4-methoxy-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-4-methoxy-N-[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropyl]benzamide
MOLECULAR FORMULA: C28H38N2O4
MOLECULAR WEIGHT: 466.61232
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C(=O)NC2(CC2)C(=O)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-(phenylcarbamoyl)cyclohexyl]benzamide
CAS Name: N-[1-[anilino(oxo)methyl]cyclohexyl]-3,5-ditert-butyl-4-hydroxybenzamide
IUPAC NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-(phenylcarbamoyl)cyclohexyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-4-oxidanyl-N-[1-(phenylcarbamoyl)cyclohexyl]benzamide
MOLECULAR FORMULA: C28H38N2O3
MOLECULAR WEIGHT: 450.61292
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2(CCCCC2)C(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 2,6-ditert-butyl-N-[4-[(4-methoxyphenyl)methylcarbamoyl]tetrahydropyran-4-yl]pyridine-4-carboxamide
CAS Name: 2,6-ditert-butyl-N-[4-[[(4-methoxyphenyl)methylamino]-oxomethyl]-4-oxanyl]-4-pyridinecarboxamide
IUPAC NAME: 2,6-ditert-butyl-N-[4-[(4-methoxyphenyl)methylcarbamoyl]oxan-4-yl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-ditert-butyl-N-[4-[(4-methoxyphenyl)methylcarbamoyl]oxan-4-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C28H39N3O4
MOLECULAR WEIGHT: 481.62696
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCOCC2)C(=O)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 4-[(3,5-ditert-butyl-4-methoxy-benzoyl)amino]-N-[(4-methoxyphenyl)methyl]tetrahydropyran-4-carboxamide
CAS Name: 4-[[(3,5-ditert-butyl-4-methoxyphenyl)-oxomethyl]amino]-N-[(4-methoxyphenyl)methyl]-4-oxanecarboxamide
IUPAC NAME: 4-[(3,5-ditert-butyl-4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
SYSTEMATIC NAME: 4-[(3,5-ditert-butyl-4-methoxy-phenyl)carbonylamino]-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
MOLECULAR FORMULA: C30H42N2O5
MOLECULAR WEIGHT: 510.66488
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C(=O)NC2(CCOCC2)C(=O)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 4-[[3,5-bis(1-cyano-1-methyl-ethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methyl]tetrahydropyran-4-carboxamide
CAS Name: 4-[[[3,5-bis(2-cyanopropan-2-yl)phenyl]-oxomethyl]amino]-N-[(4-methoxyphenyl)methyl]-4-oxanecarboxamide
IUPAC NAME: 4-[[3,5-bis(2-cyanopropan-2-yl)benzoyl]amino]-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
SYSTEMATIC NAME: 4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]carbonylamino]-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
MOLECULAR FORMULA: C29H34N4O4
MOLECULAR WEIGHT: 502.60466
SMILES: CC(C)(C#N)C1=CC(=CC(=C1)C(=O)NC2(CCOCC2)C(=O)NCC3=CC=C(C=C3)OC)C(C)(C)C#N
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-N-(cyclobutylmethoxy)-1,2-dihydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 7-(4-bromo-2-fluoroanilino)-N-(cyclobutylmethoxy)-1,2-dihydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-N-(cyclobutylmethoxy)-1,2-dihydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-N-(cyclobutylmethoxy)-1,2-bis(oxidanyl)-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C20H21BrFN3O5
MOLECULAR WEIGHT: 482.300243
SMILES: C1CC(C1)CONC(=O)C2=C3C(C(CN3C(=O)C=C2NC4=C(C=C(C=C4)Br)F)O)O
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Product OPENEYE NAME: N-[7-(4-bromo-2-fluoro-anilino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-1-(2,3-dihydroxypropyl)cyclopropanesulfonamide
CAS Name: N-[7-(4-bromo-2-fluoroanilino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-1-(2,3-dihydroxypropyl)-1-cyclopropanesulfonamide
IUPAC NAME: N-[7-(4-bromo-2-fluoroanilino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
SYSTEMATIC NAME: 1-[2,3-bis(oxidanyl)propyl]-N-[7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-fluoranyl-5-oxidanylidene-2,3-dihydro-1H-indolizin-8-yl]cyclopropane-1-sulfonamide
MOLECULAR FORMULA: C20H22BrF2N3O5S
MOLECULAR WEIGHT: 534.371586
SMILES: C1CC2=C(C(=C(C(=O)N2C1)F)NC3=C(C=C(C=C3)Br)F)NS(=O)(=O)C4(CC4)CC(CO)O
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Product OPENEYE NAME: 1-(2,3-dihydroxypropyl)-N-[6-fluoro-7-(2-fluoro-4-iodo-anilino)-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
CAS Name: 1-(2,3-dihydroxypropyl)-N-[6-fluoro-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-1-cyclopropanesulfonamide
IUPAC NAME: 1-(2,3-dihydroxypropyl)-N-[6-fluoro-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropane-1-sulfonamide
SYSTEMATIC NAME: 1-[2,3-bis(oxidanyl)propyl]-N-[6-fluoranyl-7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-oxidanylidene-2,3-dihydro-1H-indolizin-8-yl]cyclopropane-1-sulfonamide
MOLECULAR FORMULA: C20H22F2IN3O5S
MOLECULAR WEIGHT: 581.372056
SMILES: C1CC2=C(C(=C(C(=O)N2C1)F)NC3=C(C=C(C=C3)I)F)NS(=O)(=O)C4(CC4)CC(CO)O
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Product OPENEYE NAME: N-[7-(4-bromo-2-fluoro-anilino)-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-4-fluoro-benzenesulfonamide
CAS Name: N-[7-(4-bromo-2-fluoroanilino)-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-4-fluorobenzenesulfonamide
IUPAC NAME: N-[7-(4-bromo-2-fluoroanilino)-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-4-fluorobenzenesulfonamide
SYSTEMATIC NAME: N-[7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-oxidanylidene-2,3-dihydro-1H-indolizin-8-yl]-4-fluoranyl-benzenesulfonamide
MOLECULAR FORMULA: C20H16BrF2N3O3S
MOLECULAR WEIGHT: 496.325146
SMILES: C1CC2=C(C(=CC(=O)N2C1)NC3=C(C=C(C=C3)Br)F)NS(=O)(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-1,2-dihydroxy-N-(3-hydroxy-2-methyl-propoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 7-(4-bromo-2-fluoroanilino)-1,2-dihydroxy-N-(3-hydroxy-2-methylpropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-1,2-dihydroxy-N-(3-hydroxy-2-methylpropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-N-(2-methyl-3-oxidanyl-propoxy)-1,2-bis(oxidanyl)-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C19H21BrFN3O6
MOLECULAR WEIGHT: 486.288943
SMILES: CC(CO)CONC(=O)C1=C2C(C(CN2C(=O)C=C1NC3=C(C=C(C=C3)Br)F)O)O
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Product OPENEYE NAME: N-cyclopropyl-7-(2-fluoro-4-iodo-anilino)-N-methoxy-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: N-cyclopropyl-7-(2-fluoro-4-iodoanilino)-N-methoxy-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: N-cyclopropyl-7-(2-fluoro-4-iodoanilino)-N-methoxy-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: N-cyclopropyl-7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-methoxy-6-methyl-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C20H21FIN3O3
MOLECULAR WEIGHT: 497.301913
SMILES: CC1=C(C(=C2CCCN2C1=O)C(=O)N(C3CC3)OC)NC4=C(C=C(C=C4)I)F
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Product OPENEYE NAME: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(3,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(3,5-difluorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(3,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-[(1S,3R)-3-[3-[3,5-bis(fluoranyl)phenyl]pyrazol-1-yl]cyclopentyl]-4-(4-chlorophenyl)piperazine
MOLECULAR FORMULA: C24H25ClF2N4
MOLECULAR WEIGHT: 442.931906
SMILES: C1C[C@H](C[C@H]1N2CCN(CC2)C3=CC=C(C=C3)Cl)N4C=CC(=N4)C5=CC(=CC(=C5)F)F
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Product OPENEYE NAME: 1-[(1S,3R)-3-[3-(3,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
CAS Name: 1-[(1S,3R)-3-[3-(3,5-difluorophenyl)-1-pyrazolyl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
IUPAC NAME: 1-[(1S,3R)-3-[3-(3,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
SYSTEMATIC NAME: 1-[(1S,3R)-3-[3-[3,5-bis(fluoranyl)phenyl]pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
MOLECULAR FORMULA: C25H28F2N4O
MOLECULAR WEIGHT: 438.512826
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CC[C@H](C3)N4C=CC(=N4)C5=CC(=CC(=C5)F)F
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