2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pent-3-ynoyl]isoindole-1,3-dione dihydrochloride

Systemtic Name: 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pent-3-ynoyl]isoindole-1,3-dione dihydrochloride Openeye Name: 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pent-3-ynoyl]isoindoline-1,3-dione dihydrochloride CAS Name: 2-[5-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopent-3-ynyl]isoindole-1,3-dione dihydrochloride IUPAC Name: 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pent-3-ynoyl]isoindole-1,3-dione dihydrochloride Traditional Name: 2-[5-[4-(2-methoxyphenyl)piperazino]pent-3-ynoyl]isoindoline-1,3-quinone dihydrochloride Formula: C24H25Cl2N3O4 MolecularWeight: 490.379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC#CCC(=O)N3C(=O)C4=CC=CC=C4C3=O.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC#CCC(=O)N3C(=O)C4=CC=CC=C4C3=O.Cl.Cl

InChI

InChI=1S/C24H23N3O4.2ClH/c1-31-21-11-5-4-10-20(21)26-16-14-25(15-17-26)13-7-6-12-22(28)27-23(29)18-8-2-3-9-19(18)24(27)30;;/h2-5,8-11H,12-17H2,1H3;2*1H