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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(CCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H31N3O3/c1-21(33)15-16-32-28(34)24-13-8-14-25(26(24)29(32)35)30-17-19-31(20-18-30)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,21,27,33H,15-20H2,1H3