ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-2-ylethynyl)isoquinoline

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-2-ylethynyl)isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[2-(2-pyridyl)ethynyl]isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[2-(2-pyridinyl)ethynyl]isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-2-ylethynyl)isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-[2-(2-pyridyl)ethynyl]isoquinoline; oxalic acid Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CC4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CC4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H22N4.C2H2O4/c1-2-25-13-15-26(16-14-25)22-21-9-4-3-7-18(21)17-20(24-22)11-10-19-8-5-6-12-23-19;3-1(4)2(5)6/h3-9,12,17H,2,13-16H2,1H3;(H,3,4)(H,5,6)