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

Systemtic Name: 2-[5-(2-methoxyphenyl)-5-piperazin-1-yl-pent-3-ynoyl]isoindole-1,3-dione dihydrochloride Openeye Name: 2-[5-(2-methoxyphenyl)-5-piperazin-1-yl-pent-3-ynoyl]isoindoline-1,3-dione dihydrochloride CAS Name: 2-[5-(2-methoxyphenyl)-1-oxo-5-(1-piperazinyl)pent-3-ynyl]isoindole-1,3-dione dihydrochloride IUPAC Name: 2-[5-(2-methoxyphenyl)-5-piperazin-1-ylpent-3-ynoyl]isoindole-1,3-dione dihydrochloride Traditional Name: 2-[5-(2-methoxyphenyl)-5-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=C1C(C#CCC(=O)N2C(=O)C3=CC=CC=C3C2=O)N4CCNCC4.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1C(C#CCC(=O)N2C(=O)C3=CC=CC=C3C2=O)N4CCNCC4.Cl.Cl

InChI

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