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

Systemtic Name: 1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride Openeye Name: 1-[4-[4-(2-isopropoxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride CAS Name: 1-[4-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]but-2-ynyl]piperidine-2,6-dione hydrochloride IUPAC Name: 1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride Traditional Name: 1-[4-[4-(2-isopropoxyphenyl)piperazino]but-2-ynyl]piperidine-2,6-quinone hydrochloride Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)CCCC3=O.Cl

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)CCCC3=O.Cl

InChI

InChI=1S/C22H29N3O3.ClH/c1-18(2)28-20-9-4-3-8-19(20)24-16-14-23(15-17-24)12-5-6-13-25-21(26)10-7-11-22(25)27;/h3-4,8-9,18H,7,10-17H2,1-2H3;1H