1-[4-[4-(4-phenylphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride

Systemtic Name: 1-[4-[4-(4-phenylphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride Openeye Name: 1-[4-[4-(4-phenylphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride CAS Name: 1-[4-[4-(4-phenylphenyl)-1-piperazinyl]but-2-ynyl]piperidine-2,6-dione hydrochloride IUPAC Name: 1-[4-[4-(4-phenylphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride Traditional Name: 1-[4-[4-(4-phenylphenyl)piperazino]but-2-ynyl]piperidine-2,6-quinone hydrochloride Formula: C25H28ClN3O2 MolecularWeight: 437.96172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=O)C1)CC#CCN2CCN(CC2)C3=CC=C(C=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CC(=O)N(C(=O)C1)CC#CCN2CCN(CC2)C3=CC=C(C=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H27N3O2.ClH/c29-24-9-6-10-25(30)28(24)16-5-4-15-26-17-19-27(20-18-26)23-13-11-22(12-14-23)21-7-2-1-3-8-21;/h1-3,7-8,11-14H,6,9-10,15-20H2;1H