ethanedioic acid; [1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-(4-methoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-(4-methoxyphenyl)methanone Openeye Name: [1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-(4-methoxyphenyl)methanone; oxalic acid CAS Name: [1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-(4-methoxyphenyl)methanone; oxalic acid IUPAC Name: [1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-(4-methoxyphenyl)methanone; oxalic acid Traditional Name: [1-(4-ethylpiperazino)-3-isoquinolyl]-(4-methoxyphenyl)methanone; oxalic acid Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25N3O2.C2H2O4/c1-3-25-12-14-26(15-13-25)23-20-7-5-4-6-18(20)16-21(24-23)22(27)17-8-10-19(28-2)11-9-17;3-1(4)2(5)6/h4-11,16H,3,12-15H2,1-2H3;(H,3,4)(H,5,6)