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

Systemtic Name: 2-[4-(3-methylphenyl)-4-piperazin-1-yl-but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-(m-tolyl)-4-piperazin-1-yl-but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-(3-methylphenyl)-4-(1-piperazinyl)but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3-methylphenyl)-4-piperazin-1-ylbut-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-(m-tolyl)-4-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)C(C#CCN2C(=O)C3=CC=CC=C3C2=O)N4CCNCC4

Isomeric SMILES

CC1=CC(=CC=C1)C(C#CCN2C(=O)C3=CC=CC=C3C2=O)N4CCNCC4

InChI

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