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

Systemtic Name: 1-[4-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride Openeye Name: 1-[4-[4-[2-(cyclopentoxy)phenyl]piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride CAS Name: 1-[4-[4-(2-cyclopentyloxyphenyl)-1-piperazinyl]but-2-ynyl]piperidine-2,6-dione hydrochloride IUPAC Name: 1-[4-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione hydrochloride Traditional Name: 1-[4-[4-[2-(cyclopentoxy)phenyl]piperazino]but-2-ynyl]piperidine-2,6-quinone hydrochloride Formula: C24H32ClN3O3 MolecularWeight: 445.98218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC=C2N3CCN(CC3)CC#CCN4C(=O)CCCC4=O.Cl

Isomeric SMILES

C1CCC(C1)OC2=CC=CC=C2N3CCN(CC3)CC#CCN4C(=O)CCCC4=O.Cl

InChI

InChI=1S/C24H31N3O3.ClH/c28-23-12-7-13-24(29)27(23)15-6-5-14-25-16-18-26(19-17-25)21-10-3-4-11-22(21)30-20-8-1-2-9-20;/h3-4,10-11,20H,1-2,7-9,12-19H2;1H