Wednesday, December 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[[3-(dimethylamino)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[[3-(dimethylamino)phenyl]methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[[3-(dimethylamino)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[[3-(dimethylamino)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C23H21FN4O
MOLECULAR WEIGHT: 388.437443
SMILES: CN(C)C1=CC=CC(=C1)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C23H20FN3O3
MOLECULAR WEIGHT: 405.421603
SMILES: COC1=CC(=CC(=C1)CNC(=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-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SYSTEMATIC NAME: N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C22H14F5N3O
MOLECULAR WEIGHT: 431.358076
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CC(=C(C=C4)F)C(F)(F)F
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Product OPENEYE NAME: 1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C22H18FN3O3S
MOLECULAR WEIGHT: 423.460023
SMILES: CS(=O)(=O)C1=CC=C(C=C1)CNC(=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-phenylphenyl)methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[(2-phenylphenyl)methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C27H20FN3O
MOLECULAR WEIGHT: 421.465603
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2CNC(=O)C3=C4C=NN(C4=CC=C3)C5=CC=C(C=C5)F
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Product OPENEYE NAME: (3R)-5'-[3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]propyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]propyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8-methyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C33H34F2N4O2
MOLECULAR WEIGHT: 556.645466
SMILES: C[C@]1(CNC2(CCCC2)C(=O)N1CCCC3=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'-[3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8-methyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C33H30F2N4O2
MOLECULAR WEIGHT: 552.613706
SMILES: C[C@]1(CNC2(CCCC2)C(=O)N1CC#CC3=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'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-piperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperazinyl]prop-1-enyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[(E)-3-[(2R)-2-[3,5-bis(fluoranyl)phenyl]-2,5,5-trimethyl-6-oxidanylidene-piperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C31H30F2N4O2
MOLECULAR WEIGHT: 528.592306
SMILES: C[C@]1(CNC(C(=O)N1C/C=C/C2=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'-[3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-piperazin-1-yl]propyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperazinyl]propyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[3-[(2R)-2-[3,5-bis(fluoranyl)phenyl]-2,5,5-trimethyl-6-oxidanylidene-piperazin-1-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C31H32F2N4O2
MOLECULAR WEIGHT: 530.608186
SMILES: C[C@]1(CNC(C(=O)N1CCCC2=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'-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[(E)-3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8,10-dimethyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C34H34F2N4O2
MOLECULAR WEIGHT: 568.656166
SMILES: C[C@]1(CN(C2(CCCC2)C(=O)N1C/C=C/C3=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: (4aS,8aS)-4-[1-[3-(cyclopropylmethoxymethyl)cyclobutyl]-4-piperidyl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
CAS Name: (4aS,8aS)-4-[1-[3-(cyclopropylmethoxymethyl)cyclobutyl]-4-piperidinyl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
IUPAC NAME: (4aS,8aS)-4-[1-[3-(cyclopropylmethoxymethyl)cyclobutyl]piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
SYSTEMATIC NAME: (4aS,8aS)-4-[1-[3-(cyclopropylmethoxymethyl)cyclobutyl]piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
MOLECULAR FORMULA: C22H36N2O3
MOLECULAR WEIGHT: 376.53284
SMILES: C1CC[C@H]2[C@H](C1)N(C(=O)CO2)C3CCN(CC3)C4CC(C4)COCC5CC5
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Product OPENEYE NAME: (4aS,8aS)-4-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]-4-piperidyl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
CAS Name: (4aS,8aS)-4-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]-4-piperidinyl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
IUPAC NAME: (4aS,8aS)-4-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
SYSTEMATIC NAME: (4aS,8aS)-4-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
MOLECULAR FORMULA: C21H36N2O3
MOLECULAR WEIGHT: 364.52214
SMILES: CCOC[C@H]1CC[C@H](C1)N2CCC(CC2)N3[C@H]4CCCC[C@@H]4OCC3=O
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Product OPENEYE NAME: (4aS,8aS)-4-[1-[(1S,3R)-3-(ethoxymethyl)cyclopentyl]-4-piperidyl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
CAS Name: (4aS,8aS)-4-[1-[(1S,3R)-3-(ethoxymethyl)cyclopentyl]-4-piperidinyl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
IUPAC NAME: (4aS,8aS)-4-[1-[(1S,3R)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
SYSTEMATIC NAME: (4aS,8aS)-4-[1-[(1S,3R)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
MOLECULAR FORMULA: C21H36N2O3
MOLECULAR WEIGHT: 364.52214
SMILES: CCOC[C@@H]1CC[C@@H](C1)N2CCC(CC2)N3[C@H]4CCCC[C@@H]4OCC3=O
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Product OPENEYE NAME: (4aR,8aR)-4-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]-4-piperidyl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
CAS Name: (4aR,8aR)-4-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]-4-piperidinyl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
IUPAC NAME: (4aR,8aR)-4-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
SYSTEMATIC NAME: (4aR,8aR)-4-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-3-one
MOLECULAR FORMULA: C21H36N2O3
MOLECULAR WEIGHT: 364.52214
SMILES: CCOC[C@H]1CC[C@H](C1)N2CCC(CC2)N3[C@@H]4CCCC[C@H]4OCC3=O
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Product OPENEYE NAME: (4aS,7aR)-4-[1-[4-(cyclopropylmethoxymethyl)cyclohexyl]-4-piperidyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]oxazin-3-one
CAS Name: (4aS,7aR)-4-[1-[4-(cyclopropylmethoxymethyl)cyclohexyl]-4-piperidinyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]oxazin-3-one
IUPAC NAME: (4aS,7aR)-4-[1-[4-(cyclopropylmethoxymethyl)cyclohexyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]oxazin-3-one
SYSTEMATIC NAME: (4aS,7aR)-4-[1-[4-(cyclopropylmethoxymethyl)cyclohexyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]oxazin-3-one
MOLECULAR FORMULA: C23H38N2O3
MOLECULAR WEIGHT: 390.55942
SMILES: C1C[C@H]2[C@@H](C1)OCC(=O)N2C3CCN(CC3)C4CCC(CC4)COCC5CC5
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Product OPENEYE NAME: (4aR,8aS)-1-[1-[4-(2,2-difluoroethoxymethyl)cyclohexyl]-4-piperidyl]-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one
CAS Name: (4aR,8aS)-1-[1-[4-(2,2-difluoroethoxymethyl)cyclohexyl]-4-piperidinyl]-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one
IUPAC NAME: (4aR,8aS)-1-[1-[4-(2,2-difluoroethoxymethyl)cyclohexyl]piperidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one
SYSTEMATIC NAME: (4aR,8aS)-1-[1-[4-[2,2-bis(fluoranyl)ethoxymethyl]cyclohexyl]piperidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one
MOLECULAR FORMULA: C22H37F2N3O2
MOLECULAR WEIGHT: 413.544886
SMILES: C1CC[C@H]2[C@H](C1)CNC(=O)N2C3CCN(CC3)C4CCC(CC4)COCC(F)F
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Product OPENEYE NAME: 1-[2-(2-chlorophenoxy)ethyl]-4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazine dihydrochloride
CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazine dihydrochloride
IUPAC NAME: 1-[2-(2-chlorophenoxy)ethyl]-4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazine dihydrochloride
SYSTEMATIC NAME: 1-[2-(2-chloranylphenoxy)ethyl]-4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazine dihydrochloride
MOLECULAR FORMULA: C30H39Cl3N2O3
MOLECULAR WEIGHT: 582.00126
SMILES: COC1=CC=CC(=C1)CCC2=CC=CC=C2OCCCN3CCN(CC3)CCOC4=CC=CC=C4Cl.Cl.Cl
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Product OPENEYE NAME: 1-[2-(2-chlorophenoxy)ethyl]-4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazine
CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazine
IUPAC NAME: 1-[2-(2-chlorophenoxy)ethyl]-4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazine
SYSTEMATIC NAME: 1-[2-(2-chloranylphenoxy)ethyl]-4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazine
MOLECULAR FORMULA: C30H37ClN2O3
MOLECULAR WEIGHT: 509.07938
SMILES: COC1=CC=CC(=C1)CCC2=CC=CC=C2OCCCN3CCN(CC3)CCOC4=CC=CC=C4Cl
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