2-[4-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanyl-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanyl-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-3-hydroxy-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazinyl]-3-hydroxybutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-3-hydroxybutyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-benzhydrylpiperazino)-3-hydroxy-butyl]isoindoline-1,3-quinone Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CCN2C(=O)C3=CC=CC=C3C2=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CCN2C(=O)C3=CC=CC=C3C2=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c33-24(15-16-32-28(34)25-13-7-8-14-26(25)29(32)35)21-30-17-19-31(20-18-30)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,24,27,33H,15-21H2