5-[1-[(6-azanylpyridin-3-yl)methyl]pyrazol-4-yl]-7-methyl-2-[[4-(trifluoromethyloxy)phenyl]methyl]-3H-isoindol-1-one

Systemtic Name: 5-[1-[(6-azanylpyridin-3-yl)methyl]pyrazol-4-yl]-7-methyl-2-[[4-(trifluoromethyloxy)phenyl]methyl]-3H-isoindol-1-one Openeye Name: 5-[1-[(6-amino-3-pyridyl)methyl]pyrazol-4-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindolin-1-one CAS Name: 5-[1-[(6-amino-3-pyridinyl)methyl]-4-pyrazolyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one IUPAC Name: 5-[1-[(6-aminopyridin-3-yl)methyl]pyrazol-4-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one Traditional Name: 5-[1-[(6-amino-3-pyridyl)methyl]pyrazol-4-yl]-7-methyl-2-[4-(trifluoromethoxy)benzyl]isoindolin-1-one Formula: C26H22F3N5O2 MolecularWeight: 493.48039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)N(C2)CC3=CC=C(C=C3)OC(F)(F)F)C4=CN(N=C4)CC5=CN=C(C=C5)N

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)N(C2)CC3=CC=C(C=C3)OC(F)(F)F)C4=CN(N=C4)CC5=CN=C(C=C5)N

InChI

InChI=1S/C26H22F3N5O2/c1-16-8-19(21-11-32-34(15-21)13-18-4-7-23(30)31-10-18)9-20-14-33(25(35)24(16)20)12-17-2-5-22(6-3-17)36-26(27,28)29/h2-11,15H,12-14H2,1H3,(H2,30,31)