4-butyl-5-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 4-butyl-5-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazin-1-yl)-4-butyl-isoindoline-1,3-dione CAS Name: 4-butyl-5-[4-(phenylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazin-1-yl)-4-butylisoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazino)-4-butyl-isoindoline-1,3-quinone Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(=O)NC2=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(=O)NC2=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-2-3-9-18-20(11-10-19-21(18)23(28)24-22(19)27)26-14-12-25(13-15-26)16-17-7-5-4-6-8-17/h4-8,10-11H,2-3,9,12-16H2,1H3,(H,24,27,28)