2-[4-[4-(diphenylmethyl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)but-2-ynyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazinyl]but-2-ynyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)but-2-ynyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[4-(4-benzhydrylpiperazino)but-2-ynyl]isoindoline-1,3-quinone hydrochloride Formula: C29H28ClN3O2 MolecularWeight: 486.00452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O2.ClH/c33-28-25-15-7-8-16-26(25)29(34)32(28)18-10-9-17-30-19-21-31(22-20-30)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24;/h1-8,11-16,27H,17-22H2;1H