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

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-benzhydrylpiperazino)-4-keto-butyl]isoindoline-1,3-quinone Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H29N3O3/c33-26(16-9-17-32-28(34)24-14-7-8-15-25(24)29(32)35)30-18-20-31(21-19-30)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,27H,9,16-21H2