Thursday, December 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1R)-1-(3-bromophenyl)butyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(1R)-1-(3-bromophenyl)butyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(1R)-1-(3-bromophenyl)butyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-(3-bromophenyl)butyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C24H21BrFN3O
MOLECULAR WEIGHT: 466.345443
SMILES: CCC[C@H](C1=CC(=CC=C1)Br)NC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 1-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]indazole-4-carboxamide
MOLECULAR FORMULA: C23H20FN3O2
MOLECULAR WEIGHT: 389.422203
SMILES: COC1=CC=CC(=C1)CCNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 1-(4-fluorophenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[[4-(trifluoromethylthio)phenyl]methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C22H15F4N3OS
MOLECULAR WEIGHT: 445.432613
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CC=C(C=C4)SC(F)(F)F
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Product OPENEYE NAME: N-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C24H22FN3O3
MOLECULAR WEIGHT: 419.448183
SMILES: COC1=CC(=CC(=C1)CCNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F)OC
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Product OPENEYE NAME: 1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-(1-phenylethyl)-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide
MOLECULAR FORMULA: C22H18FN3O
MOLECULAR WEIGHT: 359.396223
SMILES: CC(C1=CC=CC=C1)NC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: (3R)-5'-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]ethoxy]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]ethoxy]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[2-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8-methyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C32H32F2N4O3
MOLECULAR WEIGHT: 558.618286
SMILES: C[C@]1(CNC2(CCCC2)C(=O)N1CCOC3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)C=C3)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3R)-5'-[2-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-piperazin-1-yl]ethoxy]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[2-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperazinyl]ethoxy]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[2-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[2-[(2R)-2-[3,5-bis(fluoranyl)phenyl]-2,5,5-trimethyl-6-oxidanylidene-piperazin-1-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C30H30F2N4O3
MOLECULAR WEIGHT: 532.581006
SMILES: C[C@]1(CNC(C(=O)N1CCOC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)C=C2)(C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: (3R)-5'-[2-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]ethoxy]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]ethoxy]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[2-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[2-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8,10-dimethyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C33H34F2N4O3
MOLECULAR WEIGHT: 572.644866
SMILES: C[C@]1(CN(C2(CCCC2)C(=O)N1CCOC3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)C=C3)C)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3R)-5'-[2-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-piperazin-1-yl]ethoxy]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[2-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-1-piperazinyl]ethoxy]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[2-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[2-[(2R)-2-[3,5-bis(fluoranyl)phenyl]-2,4,5,5-tetramethyl-6-oxidanylidene-piperazin-1-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C31H32F2N4O3
MOLECULAR WEIGHT: 546.607586
SMILES: C[C@]1(CN(C(C(=O)N1CCOC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)C=C2)(C)C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: (3R)-5'-[2-[(2S)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperidyl]ethoxy]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[2-[(2S)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperidinyl]ethoxy]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[2-[(2S)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperidin-1-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[2-[(2S)-2-[3,5-bis(fluoranyl)phenyl]-2,5,5-trimethyl-6-oxidanylidene-piperidin-1-yl]ethoxy]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C31H31F2N3O3
MOLECULAR WEIGHT: 531.592946
SMILES: C[C@]1(CCC(C(=O)N1CCOC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)C=C2)(C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: 1-ethyl-3-[2-[2-(3-fluorophenyl)imino-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]ethyl]urea
CAS Name: 1-ethyl-3-[2-[2-(3-fluorophenyl)imino-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]ethyl]urea
IUPAC NAME: 1-ethyl-3-[2-[2-(3-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]urea
SYSTEMATIC NAME: 1-ethyl-3-[2-[2-(3-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]urea
MOLECULAR FORMULA: C22H26FN7O2S
MOLECULAR WEIGHT: 471.550943
SMILES: CCNC(=O)NCCN1C(=CSC1=NC2=CC(=CC=C2)F)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 1-[2-[2-(3-fluorophenyl)imino-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]ethyl]-3-isopropyl-urea
CAS Name: 1-[2-[2-(3-fluorophenyl)imino-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]ethyl]-3-propan-2-ylurea
IUPAC NAME: 1-[2-[2-(3-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-propan-2-ylurea
SYSTEMATIC NAME: 1-[2-[2-(3-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-propan-2-yl-urea
MOLECULAR FORMULA: C23H28FN7O2S
MOLECULAR WEIGHT: 485.577523
SMILES: CC(C)NC(=O)NCCN1C(=CSC1=NC2=CC(=CC=C2)F)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 1-ethyl-3-[2-[2-(4-fluorophenyl)imino-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]ethyl]urea
CAS Name: 1-ethyl-3-[2-[2-(4-fluorophenyl)imino-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]ethyl]urea
IUPAC NAME: 1-ethyl-3-[2-[2-(4-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]urea
SYSTEMATIC NAME: 1-ethyl-3-[2-[2-(4-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]urea
MOLECULAR FORMULA: C22H26FN7O2S
MOLECULAR WEIGHT: 471.550943
SMILES: CCNC(=O)NCCN1C(=CSC1=NC2=CC=C(C=C2)F)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 1-[2-[2-(2-chlorophenyl)imino-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]ethyl]-3-methyl-urea
CAS Name: 1-[2-[2-(2-chlorophenyl)imino-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]ethyl]-3-methylurea
IUPAC NAME: 1-[2-[2-(2-chlorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methylurea
SYSTEMATIC NAME: 1-[2-[2-(2-chlorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methyl-urea
MOLECULAR FORMULA: C21H24ClN7O2S
MOLECULAR WEIGHT: 473.97896
SMILES: CNC(=O)NCCN1C(=CSC1=NC2=CC=CC=C2Cl)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 1-[2-[2-(3-chlorophenyl)imino-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]ethyl]-3-methyl-urea
CAS Name: 1-[2-[2-(3-chlorophenyl)imino-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]ethyl]-3-methylurea
IUPAC NAME: 1-[2-[2-(3-chlorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methylurea
SYSTEMATIC NAME: 1-[2-[2-(3-chlorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methyl-urea
MOLECULAR FORMULA: C21H24ClN7O2S
MOLECULAR WEIGHT: 473.97896
SMILES: CNC(=O)NCCN1C(=CSC1=NC2=CC(=CC=C2)Cl)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 1-[3-[2-(4-chlorophenyl)imino-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]propyl]-3-methyl-urea
CAS Name: 1-[3-[2-(4-chlorophenyl)imino-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]propyl]-3-methylurea
IUPAC NAME: 1-[3-[2-(4-chlorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]propyl]-3-methylurea
SYSTEMATIC NAME: 1-[3-[2-(4-chlorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]propyl]-3-methyl-urea
MOLECULAR FORMULA: C22H26ClN7O2S
MOLECULAR WEIGHT: 488.00554
SMILES: CNC(=O)NCCCN1C(=CSC1=NC2=CC=C(C=C2)Cl)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: sodium [(1R,2R,4aS,5R)-2-hydroxy-5-[(2Z)-2-[(4S)-4-methoxy-2-oxo-tetrahydrofuran-3-ylidene]ethyl]-1,4a-dimethyl-6-methylene-decalin-1-yl]methyl hydrogen phosphate
CAS Name: sodium [(1R,2R,4aS,5R)-2-hydroxy-5-[(2Z)-2-[(4S)-4-methoxy-2-oxo-3-oxolanylidene]ethyl]-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl hydrogen phosphate
IUPAC NAME: sodium [(1R,2R,4aS,5R)-2-hydroxy-5-[(2Z)-2-[(4S)-4-methoxy-2-oxooxolan-3-ylidene]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: sodium [(1R,2R,4aS,5R)-5-[(2Z)-2-[(4S)-4-methoxy-2-oxidanylidene-oxolan-3-ylidene]ethyl]-1,4a-dimethyl-6-methylidene-2-oxidanyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C21H32NaO8P
MOLECULAR WEIGHT: 466.437511
SMILES: C[C@@]12CC[C@H]([C@@](C1CCC(=C)[C@H]2C/C=C\3/[C@@H](COC3=O)OC)(C)COP(=O)(O)[O-])O.[Na+]
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Product OPENEYE NAME: [(1R,2R,4aS,5R)-2-hydroxy-5-[(2Z)-2-[(4S)-4-methoxy-2-oxo-tetrahydrofuran-3-ylidene]ethyl]-1,4a-dimethyl-6-methylene-decalin-1-yl]methyl dihydrogen phosphate
CAS Name: [(1R,2R,4aS,5R)-2-hydroxy-5-[(2Z)-2-[(4S)-4-methoxy-2-oxo-3-oxolanylidene]ethyl]-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl dihydrogen phosphate
IUPAC NAME: [(1R,2R,4aS,5R)-2-hydroxy-5-[(2Z)-2-[(4S)-4-methoxy-2-oxooxolan-3-ylidene]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(1R,2R,4aS,5R)-5-[(2Z)-2-[(4S)-4-methoxy-2-oxidanylidene-oxolan-3-ylidene]ethyl]-1,4a-dimethyl-6-methylidene-2-oxidanyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C21H33O8P
MOLECULAR WEIGHT: 444.455681
SMILES: C[C@@]12CC[C@H]([C@@](C1CCC(=C)[C@H]2C/C=C\3/[C@@H](COC3=O)OC)(C)COP(=O)(O)O)O
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Product OPENEYE NAME: 2-[3-tert-butyl-2-formamido-6-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]-2H-1,3-benzoxazol-4-yl]piperidine-1-carboxylic acid
CAS Name: 2-[3-tert-butyl-2-formamido-6-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-2H-1,3-benzoxazol-4-yl]-1-piperidinecarboxylic acid
IUPAC NAME: 2-[3-tert-butyl-2-formamido-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2H-1,3-benzoxazol-4-yl]piperidine-1-carboxylic acid
SYSTEMATIC NAME: 2-[3-tert-butyl-2-formamido-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2H-1,3-benzoxazol-4-yl]piperidine-1-carboxylic acid
MOLECULAR FORMULA: C30H37F3N4O5
MOLECULAR WEIGHT: 590.63379
SMILES: CC(C)(C)N1C(OC2=C1C(=CC(=C2)OC3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F)C5CCCCN5C(=O)O)NC=O
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