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

Systemtic Name: 7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethyloxy)phenyl]methyl]-3H-isoindol-1-one Openeye Name: 7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindolin-1-one CAS Name: 7-methyl-5-(4-methyl-1-piperazinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one IUPAC Name: 7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one Traditional Name: 7-methyl-5-(4-methylpiperazino)-2-[4-(trifluoromethoxy)benzyl]isoindolin-1-one Formula: C22H24F3N3O2 MolecularWeight: 419.44007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)N3CCN(CC3)C)CN(C2=O)CC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CC1=C2C(=CC(=C1)N3CCN(CC3)C)CN(C2=O)CC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H24F3N3O2/c1-15-11-18(27-9-7-26(2)8-10-27)12-17-14-28(21(29)20(15)17)13-16-3-5-19(6-4-16)30-22(23,24)25/h3-6,11-12H,7-10,13-14H2,1-2H3