Wednesday, December 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-3-[2-(4-fluorophenyl)acetyl]-8-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxo-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)-8-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-3-[2-(4-fluorophenyl)-1-oxoethyl]-6-oxo-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]-8-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxo-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)-8-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-3-[2-(4-fluorophenyl)ethanoyl]-6-oxidanylidene-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C34H36F2N6O3
MOLECULAR WEIGHT: 614.684846
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)F)C(=O)CC6=CC=C(C=C6)F)NC
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Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-3-[2-(4-fluorophenyl)acetyl]-8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxo-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)-8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-[2-(4-fluorophenyl)-1-oxoethyl]-6-oxo-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]-8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxo-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)-8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-[2-(4-fluorophenyl)ethanoyl]-6-oxidanylidene-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C34H36F2N6O3
MOLECULAR WEIGHT: 614.684846
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=C(C=C5)F)C(=O)CC6=CC=C(C=C6)F)NC
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Product OPENEYE NAME: (6Z)-6-[2-(4-ethoxyphenyl)-1-hydrazino-ethylidene]-4-ethyl-3-hydroxy-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-(4-ethoxyphenyl)-1-hydrazinylethylidene]-4-ethyl-3-hydroxy-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-(4-ethoxyphenyl)-1-hydrazinylethylidene]-4-ethyl-3-hydroxycyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[1-diazanyl-2-(4-ethoxyphenyl)ethylidene]-4-ethyl-3-oxidanyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H22N2O3
MOLECULAR WEIGHT: 314.37888
SMILES: CCC1=C/C(=C(\CC2=CC=C(C=C2)OCC)/NN)/C(=O)C=C1O
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Product OPENEYE NAME: (2S,3S,4R,5R,6S)-2-[(1S,3E,5R)-3-[(2Z)-2-[(7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylene-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2S,3S,4R,5R,6S)-2-[(1S,3E,5R)-3-[(2Z)-2-[(7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylenecyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2S,3S,4R,5R,6S)-2-[(1S,3E,5R)-3-[(2Z)-2-[(7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylidenecyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3S,4R,5R,6S)-2-[(1S,3E,5R)-3-[(2Z)-2-[(7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C33H54O8
MOLECULAR WEIGHT: 578.77706
SMILES: C[C@H](CCCC(C)(C)O)C1CCC\2[C@@]1(CCC/C2=C/C=C/3\C[C@H](C[C@@H](C3=C)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)C
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Product OPENEYE NAME: (5E,18E)-8,11,13,17-tetrahydroxy-20-(5-hydroxy-4-methyl-3-methylene-hexyl)-3,4,14-trimethyl-15-methylene-1-oxacycloicosa-5,18-dien-2-one
CAS Name: (5E,18E)-8,11,13,17-tetrahydroxy-20-(5-hydroxy-4-methyl-3-methylenehexyl)-3,4,14-trimethyl-15-methylene-1-oxacycloeicosa-5,18-dien-2-one
IUPAC NAME: (5E,18E)-8,11,13,17-tetrahydroxy-20-(5-hydroxy-4-methyl-3-methylidenehexyl)-3,4,14-trimethyl-15-methylidene-1-oxacycloicosa-5,18-dien-2-one
SYSTEMATIC NAME: (5E,18E)-3,4,14-trimethyl-15-methylidene-20-(4-methyl-3-methylidene-5-oxidanyl-hexyl)-8,11,13,17-tetrakis(oxidanyl)-1-oxacycloicosa-5,18-dien-2-one
MOLECULAR FORMULA: C31H52O7
MOLECULAR WEIGHT: 536.74038
SMILES: CC1/C=C/CC(CCC(CC(C(C(=C)CC(/C=C/C(OC(=O)C1C)CCC(=C)C(C)C(C)O)O)C)O)O)O
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Product OPENEYE NAME: (13E)-5,7,10,11,12-pentahydroxy-8-methyl-16-[(2E,6E)-1,5,9-trimethyldeca-2,6,8-trienyl]-1-oxacyclohexadec-13-en-2-one
CAS Name: (13E)-16-[(3E,7E)-6,10-dimethylundeca-3,7,9-trien-2-yl]-5,7,10,11,12-pentahydroxy-8-methyl-1-oxacyclohexadec-13-en-2-one
IUPAC NAME: (13E)-16-[(3E,7E)-6,10-dimethylundeca-3,7,9-trien-2-yl]-5,7,10,11,12-pentahydroxy-8-methyl-1-oxacyclohexadec-13-en-2-one
SYSTEMATIC NAME: (13E)-16-[(3E,7E)-6,10-dimethylundeca-3,7,9-trien-2-yl]-8-methyl-5,7,10,11,12-pentakis(oxidanyl)-1-oxacyclohexadec-13-en-2-one
MOLECULAR FORMULA: C29H48O7
MOLECULAR WEIGHT: 508.68722
SMILES: CC1CC(C(C(/C=C/CC(OC(=O)CCC(CC1O)O)C(C)/C=C/CC(C)/C=C/C=C(C)C)O)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H56O11
MOLECULAR WEIGHT: 640.80184
SMILES: CCCCC1C(C2C(O1)/C=C/C=C/CCC(C3(CC(C(O3)CCC(C(C(C(CC(/C=C/C(C(=O)O2)C)O)O)O)O)O)C)O)O)C
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Product OPENEYE NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-[(5-methylisoxazol-3-yl)methylcarbamoyl]cyclopropyl]benzamide
CAS Name: 3,5-ditert-butyl-4-hydroxy-N-[1-[[(5-methyl-3-isoxazolyl)methylamino]-oxomethyl]cyclopropyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclopropyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclopropyl]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C24H33N3O4
MOLECULAR WEIGHT: 427.53652
SMILES: CC1=CC(=NO1)CNC(=O)C2(CC2)NC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]cyclopropyl]benzamide
CAS Name: 3,5-ditert-butyl-4-hydroxy-N-[1-[[[4-(methanesulfonamido)phenyl]methylamino]-oxomethyl]cyclopropyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]cyclopropyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-N-[1-[[4-(methylsulfonylamino)phenyl]methylcarbamoyl]cyclopropyl]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C27H37N3O5S
MOLECULAR WEIGHT: 515.66478
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2(CC2)C(=O)NCC3=CC=C(C=C3)NS(=O)(=O)C
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Product OPENEYE NAME: 3-(1-cyano-1-methyl-ethyl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
CAS Name: 3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]benzamide
IUPAC NAME: 3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
SYSTEMATIC NAME: 3-(2-cyanopropan-2-yl)-4-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
MOLECULAR FORMULA: C27H30F3N3O3
MOLECULAR WEIGHT: 501.54061
SMILES: CC(C)(C#N)C1=C(C=CC(=C1)C(=O)NC2(CCCCC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)OC
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Product OPENEYE NAME: 2-(1-cyano-1-methyl-ethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide
CAS Name: 2-(2-cyanopropan-2-yl)-N-[1-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]-4-pyridinecarboxamide
IUPAC NAME: 2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C25H27F3N4O2
MOLECULAR WEIGHT: 472.50269
SMILES: CC(C)(C#N)C1=NC=CC(=C1)C(=O)NC2(CCCCC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]tetrahydropyran-4-yl]pyridine-4-carboxamide
CAS Name: 2-tert-butyl-N-[4-[oxo-[3-(trifluoromethyl)anilino]methyl]-4-oxanyl]-4-pyridinecarboxamide
IUPAC NAME: 2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2-tert-butyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]oxan-4-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C23H26F3N3O3
MOLECULAR WEIGHT: 449.46605
SMILES: CC(C)(C)C1=NC=CC(=C1)C(=O)NC2(CCOCC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: N-[1-(benzylcarbamoyl)cyclohexyl]-4-(1-cyano-1-methyl-ethyl)benzamide
CAS Name: 4-(2-cyanopropan-2-yl)-N-[1-[oxo-[(phenylmethyl)amino]methyl]cyclohexyl]benzamide
IUPAC NAME: N-[1-(benzylcarbamoyl)cyclohexyl]-4-(2-cyanopropan-2-yl)benzamide
SYSTEMATIC NAME: 4-(2-cyanopropan-2-yl)-N-[1-[(phenylmethyl)carbamoyl]cyclohexyl]benzamide
MOLECULAR FORMULA: C25H29N3O2
MOLECULAR WEIGHT: 403.51666
SMILES: CC(C)(C#N)C1=CC=C(C=C1)C(=O)NC2(CCCCC2)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: N-[7-(4-bromo-2-fluoro-anilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-1-(2,3-dihydroxypropyl)cyclopropanesulfonamide
CAS Name: N-[7-(4-bromo-2-fluoroanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-1-(2,3-dihydroxypropyl)-1-cyclopropanesulfonamide
IUPAC NAME: N-[7-(4-bromo-2-fluoroanilino)-6-methyl-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-methyl-5-oxidanylidene-2,3-dihydro-1H-indolizin-8-yl]cyclopropane-1-sulfonamide
MOLECULAR FORMULA: C21H25BrFN3O5S
MOLECULAR WEIGHT: 530.407703
SMILES: CC1=C(C(=C2CCCN2C1=O)NS(=O)(=O)C3(CC3)CC(CO)O)NC4=C(C=C(C=C4)Br)F
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Product OPENEYE NAME: N-(cyclobutylmethoxy)-7-(2-fluoro-4-iodo-anilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: N-(cyclobutylmethoxy)-7-(2-fluoro-4-iodoanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: N-(cyclobutylmethoxy)-7-(2-fluoro-4-iodoanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: N-(cyclobutylmethoxy)-7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-methyl-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C21H23FIN3O3
MOLECULAR WEIGHT: 511.328493
SMILES: CC1=C(C(=C2CCCN2C1=O)C(=O)NOCC3CCC3)NC4=C(C=C(C=C4)I)F
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Product OPENEYE NAME: 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-iodo-anilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
CAS Name: 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-iodoanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]-1-cyclopropanesulfonamide
IUPAC NAME: 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-iodoanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropane-1-sulfonamide
SYSTEMATIC NAME: 1-[2,3-bis(oxidanyl)propyl]-N-[7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-methyl-5-oxidanylidene-2,3-dihydro-1H-indolizin-8-yl]cyclopropane-1-sulfonamide
MOLECULAR FORMULA: C21H25FIN3O5S
MOLECULAR WEIGHT: 577.408173
SMILES: CC1=C(C(=C2CCCN2C1=O)NS(=O)(=O)C3(CC3)CC(CO)O)NC4=C(C=C(C=C4)I)F
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Product OPENEYE NAME: N-(2,3-dihydroxypropoxy)-6-fluoro-7-(2-fluoro-4-iodo-anilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: N-(2,3-dihydroxypropoxy)-6-fluoro-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: N-(2,3-dihydroxypropoxy)-6-fluoro-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: N-[2,3-bis(oxidanyl)propoxy]-6-fluoranyl-7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C18H18F2IN3O5
MOLECULAR WEIGHT: 521.253896
SMILES: C1CC2=C(C(=C(C(=O)N2C1)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCC(CO)O
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Product OPENEYE NAME: 6-chloro-N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-iodo-anilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 6-chloro-N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 6-chloro-N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: N-[2,3-bis(oxidanyl)propoxy]-6-chloranyl-7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C18H18ClFIN3O5
MOLECULAR WEIGHT: 537.708493
SMILES: C1CC2=C(C(=C(C(=O)N2C1)Cl)NC3=C(C=C(C=C3)I)F)C(=O)NOCC(CO)O
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Product OPENEYE NAME: N-[2-(diethylamino)ethyl]-5-iodanyl-pyridine-3-carboxamide
CAS Name: N-[2-(diethylamino)ethyl]-5-iodanyl-3-pyridinecarboxamide
IUPAC NAME: N-[2-(diethylamino)ethyl]-5-iodanylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-5-iodanyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C12H18IN3O
MOLECULAR WEIGHT: 343.196418
SMILES: CCN(CC)CCNC(=O)C1=CC(=CN=C1)[123I]
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Product OPENEYE NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(2,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(2,5-difluorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(2,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-[(1S,3S)-3-[3-[2,5-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=C(C=CC(=C5)F)F
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Product OPENEYE NAME: 1-[(1S,3R)-3-[3-(2,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
CAS Name: 1-[(1S,3R)-3-[3-(2,5-difluorophenyl)-1-pyrazolyl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
IUPAC NAME: 1-[(1S,3R)-3-[3-(2,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
SYSTEMATIC NAME: 1-[(1S,3R)-3-[3-[2,5-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=C(C=CC(=C5)F)F
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Product OPENEYE NAME: 1-[(1S,3S)-3-[3-(2,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
CAS Name: 1-[(1S,3S)-3-[3-(2,5-difluorophenyl)-1-pyrazolyl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
IUPAC NAME: 1-[(1S,3S)-3-[3-(2,5-difluorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
SYSTEMATIC NAME: 1-[(1S,3S)-3-[3-[2,5-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=C(C=CC(=C5)F)F
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Product OPENEYE NAME: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(2,4-dichlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H25Cl3N4
MOLECULAR WEIGHT: 475.8411
SMILES: C1C[C@H](C[C@H]1N2CCN(CC2)C3=CC=C(C=C3)Cl)N4C=CC(=N4)C5=C(C=C(C=C5)Cl)Cl
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Product OPENEYE NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(2,4-dichlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H25Cl3N4
MOLECULAR WEIGHT: 475.8411
SMILES: C1C[C@@H](C[C@H]1N2CCN(CC2)C3=CC=C(C=C3)Cl)N4C=CC(=N4)C5=C(C=C(C=C5)Cl)Cl
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