2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione dihydrochloride

Systemtic Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione dihydrochloride Openeye Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]isoindoline-1,3-dione dihydrochloride CAS Name: 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]but-2-ynyl]isoindole-1,3-dione dihydrochloride IUPAC Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]isoindole-1,3-dione dihydrochloride Traditional Name: 2-[4-[4-(2-methoxyphenyl)piperazino]but-2-ynyl]isoindoline-1,3-quinone dihydrochloride Formula: C23H25Cl2N3O3 MolecularWeight: 462.3689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)C4=CC=CC=C4C3=O.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)C4=CC=CC=C4C3=O.Cl.Cl

InChI

InChI=1S/C23H23N3O3.2ClH/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28;;/h2-5,8-11H,12-17H2,1H3;2*1H