2-[11-oxidanylidene-11-[4-(phenylmethyl)piperazin-1-yl]undecyl]isoindole-1,3-dione

Systemtic Name: 2-[11-oxidanylidene-11-[4-(phenylmethyl)piperazin-1-yl]undecyl]isoindole-1,3-dione Openeye Name: 2-[11-(4-benzylpiperazin-1-yl)-11-oxo-undecyl]isoindoline-1,3-dione CAS Name: 2-[11-oxo-11-[4-(phenylmethyl)-1-piperazinyl]undecyl]isoindole-1,3-dione IUPAC Name: 2-[11-(4-benzylpiperazin-1-yl)-11-oxoundecyl]isoindole-1,3-dione Traditional Name: 2-[11-(4-benzylpiperazino)-11-keto-undecyl]isoindoline-1,3-quinone Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C30H39N3O3/c34-28(32-22-20-31(21-23-32)24-25-14-8-7-9-15-25)18-10-5-3-1-2-4-6-13-19-33-29(35)26-16-11-12-17-27(26)30(33)36/h7-9,11-12,14-17H,1-6,10,13,18-24H2