3-methylidene-2-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindol-1-one

Systemtic Name: 3-methylidene-2-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindol-1-one Openeye Name: 3-methylene-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindolin-1-one CAS Name: 3-methylene-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-1-isoindolone IUPAC Name: 3-methylidene-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindol-1-one Traditional Name: 2-[2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl]-3-methylene-isoindolin-1-one Formula: C22H20F3N3O2 MolecularWeight: 415.40831

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2/c1-15-18-7-2-3-8-19(18)21(30)28(15)14-20(29)27-11-9-26(10-12-27)17-6-4-5-16(13-17)22(23,24)25/h2-8,13H,1,9-12,14H2