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

Systemtic Name: 1-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride Openeye Name: 1-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride CAS Name: 1-[4-[4-(2-ethoxyphenyl)-1-piperazinyl]but-2-ynyl]piperidine-2,6-dione hydrochloride IUPAC Name: 1-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride Traditional Name: 1-[4-(4-o-phenetylpiperazino)but-2-ynyl]piperidine-2,6-quinone hydrochloride Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)CCCC3=O.Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)CCCC3=O.Cl

InChI

InChI=1S/C21H27N3O3.ClH/c1-2-27-19-9-4-3-8-18(19)23-16-14-22(15-17-23)12-5-6-13-24-20(25)10-7-11-21(24)26;/h3-4,8-9H,2,7,10-17H2,1H3;1H