2-[(E)-4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]but-2-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]but-2-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]but-2-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-(1-piperazinyl)-4-[3-(trifluoromethyl)phenyl]but-2-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]but-2-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-piperazino-4-[3-(trifluoromethyl)phenyl]but-2-enyl]isoindoline-1,3-quinone Formula: C23H22F3N3O2 MolecularWeight: 429.43489

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C=CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C(/C=C/CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O2/c24-23(25,26)17-6-3-5-16(15-17)20(28-13-10-27-11-14-28)9-4-12-29-21(30)18-7-1-2-8-19(18)22(29)31/h1-9,15,20,27H,10-14H2/b9-4+