2-[4-[4-(3-methylphenyl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(3-methylphenyl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(m-tolyl)piperazin-1-yl]but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(3-methylphenyl)-1-piperazinyl]but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(3-methylphenyl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(m-tolyl)piperazino]but-2-ynyl]isoindoline-1,3-quinone Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC#CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC#CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O2/c1-18-7-6-8-19(17-18)25-15-13-24(14-16-25)11-4-5-12-26-22(27)20-9-2-3-10-21(20)23(26)28/h2-3,6-10,17H,11-16H2,1H3