2-[6-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]hexyl]isoindole-1,3-dione Openeye Name: 2-[6-(4-benzylpiperazin-1-yl)-6-oxo-hexyl]isoindoline-1,3-dione CAS Name: 2-[6-oxo-6-[4-(phenylmethyl)-1-piperazinyl]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]isoindole-1,3-dione Traditional Name: 2-[6-(4-benzylpiperazino)-6-keto-hexyl]isoindoline-1,3-quinone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N3O3/c29-23(27-17-15-26(16-18-27)19-20-9-3-1-4-10-20)13-5-2-8-14-28-24(30)21-11-6-7-12-22(21)25(28)31/h1,3-4,6-7,9-12H,2,5,8,13-19H2