ethanedioic acid; 4-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]prop-2-ynyl]morpholine

Systemtic Name: ethanedioic acid; 4-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]prop-2-ynyl]morpholine Openeye Name: 4-[3-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]prop-2-ynyl]morpholine; oxalic acid CAS Name: 4-[3-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]prop-2-ynyl]morpholine; oxalic acid IUPAC Name: 4-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]prop-2-ynyl]morpholine; oxalic acid Traditional Name: 4-[3-[1-(4-ethylpiperazino)-3-isoquinolyl]prop-2-ynyl]morpholine; oxalic acid Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CCN4CCOCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CCN4CCOCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N4O.C2H2O4/c1-2-24-10-12-26(13-11-24)22-21-8-4-3-6-19(21)18-20(23-22)7-5-9-25-14-16-27-17-15-25;3-1(4)2(5)6/h3-4,6,8,18H,2,9-17H2,1H3;(H,3,4)(H,5,6)