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

Systemtic Name: 7-chloranyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethyloxy)phenyl]methyl]-3H-isoindol-1-one Openeye Name: 7-chloro-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindolin-1-one CAS Name: 7-chloro-5-(4-methyl-1-piperazinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one IUPAC Name: 7-chloro-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one Traditional Name: 7-chloro-5-(4-methylpiperazino)-2-[4-(trifluoromethoxy)benzyl]isoindolin-1-one Formula: C21H21ClF3N3O2 MolecularWeight: 439.85855

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C3C(=C2)CN(C3=O)CC4=CC=C(C=C4)OC(F)(F)F)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C3C(=C2)CN(C3=O)CC4=CC=C(C=C4)OC(F)(F)F)Cl

InChI

InChI=1S/C21H21ClF3N3O2/c1-26-6-8-27(9-7-26)16-10-15-13-28(20(29)19(15)18(22)11-16)12-14-2-4-17(5-3-14)30-21(23,24)25/h2-5,10-11H,6-9,12-13H2,1H3