Friday, December 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-[2-chloro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one
CAS Name: 1-[2-chloro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]phenyl]-2-pyrrolidinone
IUPAC NAME: 1-[2-chloro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[2-chloranyl-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]pyrrolidin-2-one
MOLECULAR FORMULA: C18H18ClN7O
MOLECULAR WEIGHT: 383.83482
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC(=C(C=C3)Cl)N4CCCC4=O
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Product OPENEYE NAME: methyl N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]carbamate
CAS Name: N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]phenyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]carbamate
SYSTEMATIC NAME: methyl N-[2-fluoranyl-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]carbamate
MOLECULAR FORMULA: C16H16FN7O2
MOLECULAR WEIGHT: 357.342343
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC(=C(C=C3)F)NC(=O)OC
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MOLECULAR FORMULA: C33H35F3N4O6S
MOLECULAR WEIGHT: 672.71441
SMILES: COC1=CC2=C(C=C1)N=C(S2)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC6=CC=CC(=C6)C(F)(F)F)C(=O)O
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MOLECULAR FORMULA: C32H32F4N4O5S
MOLECULAR WEIGHT: 660.678893
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC=CC(=C4)C(F)(F)F)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)O
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MOLECULAR FORMULA: C32H32ClF3N4O5S
MOLECULAR WEIGHT: 677.13349
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC=CC(=C4)C(F)(F)F)OC5=NC6=C(S5)C=C(C=C6)Cl)C(=O)O
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MOLECULAR FORMULA: C33H35F3N4O5S
MOLECULAR WEIGHT: 656.71501
SMILES: CC1=CC2=C(C=C1)N=C(S2)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC6=CC=CC(=C6)C(F)(F)F)C(=O)O
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MOLECULAR FORMULA: C35H41N5O7S2
MOLECULAR WEIGHT: 707.85934
SMILES: COC1=CC=CC(=C1)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)OC5=NC6=CC=CC=C6S5)C(=O)NS(=O)(=O)C7CC7
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MOLECULAR FORMULA: C35H40BrN5O7S2
MOLECULAR WEIGHT: 786.7554
SMILES: COC1=CC=CC(=C1)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)OC5=NC6=C(S5)C=C(C=C6)Br)C(=O)NS(=O)(=O)C7CC7
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MOLECULAR FORMULA: C36H43N5O8S2
MOLECULAR WEIGHT: 737.88532
SMILES: COC1=CC2=C(C=C1)N=C(S2)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC6=CC(=CC=C6)OC)C(=O)NS(=O)(=O)C7CC7
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MOLECULAR FORMULA: C35H40FN5O7S2
MOLECULAR WEIGHT: 725.849803
SMILES: COC1=CC=CC(=C1)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME: 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CAS Name: 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C22H15F4N3O
MOLECULAR WEIGHT: 413.367613
SMILES: C1=CC=C(C(=C1)N2C3=CC=CC(=C3C=N2)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)F
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Product OPENEYE NAME: N-[(2-carbamoyl-4-pyridyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(2-carbamoyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(2-carbamoylpyridin-4-yl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(2-aminocarbonylpyridin-4-yl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C21H16FN5O2
MOLECULAR WEIGHT: 389.382443
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CC(=NC=C4)C(=O)N
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Product OPENEYE NAME: 1-(3,4-dichlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide
CAS Name: 1-(3,4-dichlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-4-indazolecarboxamide
IUPAC NAME: 1-(3,4-dichlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide
MOLECULAR FORMULA: C23H16Cl2F3N3O
MOLECULAR WEIGHT: 478.29385
SMILES: CC(C1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=C3C=NN(C3=CC=C2)C4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 1-(2-cyanophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CAS Name: 1-(2-cyanophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(2-cyanophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(2-cyanophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C23H15F3N4O
MOLECULAR WEIGHT: 420.38661
SMILES: C1=CC=C(C(=C1)C#N)N2C3=CC=CC(=C3C=N2)C(=O)NCC4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 1-(4-pyridyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CAS Name: 1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-indazolecarboxamide
IUPAC NAME: 1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C21H15F3N4O
MOLECULAR WEIGHT: 396.36521
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=NC=C4
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Product OPENEYE NAME: 1-(2-thienyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CAS Name: 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-indazolecarboxamide
IUPAC NAME: 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C20H14F3N3OS
MOLECULAR WEIGHT: 401.40487
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=CS4
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Product OPENEYE NAME: [(3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-5'-yl] 2-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]acetate
CAS Name: 2-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]acetic acid [(2R)-2'-oxo-5-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]yl] ester
IUPAC NAME: [(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]acetate
SYSTEMATIC NAME: [(2R)-2'-oxidanylidenespiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl] 2-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8,10-dimethyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]ethanoate
MOLECULAR FORMULA: C33H32F2N4O4
MOLECULAR WEIGHT: 586.628386
SMILES: C[C@]1(CN(C2(CCCC2)C(=O)N1CC(=O)OC3=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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