ethanedioic acid; N-[[1-(4-ethylpiperazin-1-yl)-1H-isoquinolin-2-yl]methyl]-4-methoxy-aniline

Systemtic Name: ethanedioic acid; N-[[1-(4-ethylpiperazin-1-yl)-1H-isoquinolin-2-yl]methyl]-4-methoxy-aniline Openeye Name: N-[[1-(4-ethylpiperazin-1-yl)-1H-isoquinolin-2-yl]methyl]-4-methoxy-aniline; oxalic acid CAS Name: N-[[1-(4-ethyl-1-piperazinyl)-1H-isoquinolin-2-yl]methyl]-4-methoxyaniline; oxalic acid IUPAC Name: N-[[1-(4-ethylpiperazin-1-yl)-1H-isoquinolin-2-yl]methyl]-4-methoxyaniline; oxalic acid Traditional Name: [1-(4-ethylpiperazino)-1H-isoquinolin-2-yl]methyl-(4-methoxyphenyl)amine; oxalic acid Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2C3=CC=CC=C3C=CN2CNC4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2C3=CC=CC=C3C=CN2CNC4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N4O.C2H2O4/c1-3-25-14-16-26(17-15-25)23-22-7-5-4-6-19(22)12-13-27(23)18-24-20-8-10-21(28-2)11-9-20;3-1(4)2(5)6/h4-13,23-24H,3,14-18H2,1-2H3;(H,3,4)(H,5,6)