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

Systemtic Name: 2-[4-(4-cyclohexylpiperazin-1-yl)but-2-ynyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[4-(4-cyclohexylpiperazin-1-yl)but-2-ynyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[4-(4-cyclohexyl-1-piperazinyl)but-2-ynyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[4-(4-cyclohexylpiperazin-1-yl)but-2-ynyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[4-(4-cyclohexylpiperazino)but-2-ynyl]isoindoline-1,3-quinone hydrochloride Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)CC#CCN3C(=O)C4=CC=CC=C4C3=O.Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)CC#CCN3C(=O)C4=CC=CC=C4C3=O.Cl

InChI

InChI=1S/C22H27N3O2.ClH/c26-21-19-10-4-5-11-20(19)22(27)25(21)13-7-6-12-23-14-16-24(17-15-23)18-8-2-1-3-9-18;/h4-5,10-11,18H,1-3,8-9,12-17H2;1H