2-(3-imidazol-1-ylpropyl)-4-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(3-imidazol-1-ylpropyl)-4-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 4-(4-benzylpiperazin-1-yl)-2-(3-imidazol-1-ylpropyl)isoindoline-1,3-dione CAS Name: 2-[3-(1-imidazolyl)propyl]-4-[4-(phenylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione Traditional Name: 4-(4-benzylpiperazino)-2-(3-imidazol-1-ylpropyl)isoindoline-1,3-quinone Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CCCN5C=CN=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CCCN5C=CN=C5

InChI

InChI=1S/C25H27N5O2/c31-24-21-8-4-9-22(23(21)25(32)30(24)12-5-11-28-13-10-26-19-28)29-16-14-27(15-17-29)18-20-6-2-1-3-7-20/h1-4,6-10,13,19H,5,11-12,14-18H2