ethanedioic acid; N-[[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]methyl]-4-methoxy-aniline

Systemtic Name: ethanedioic acid; N-[[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]methyl]-4-methoxy-aniline Openeye Name: N-[[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]methyl]-4-methoxy-aniline; oxalic acid CAS Name: N-[[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]methyl]-4-methoxyaniline; oxalic acid IUPAC Name: N-[[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]methyl]-4-methoxyaniline; oxalic acid Traditional Name: [1-(4-ethylpiperazino)-3-isoquinolyl]methyl-(4-methoxyphenyl)amine; oxalic acid Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CNC4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CNC4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N4O.C2H2O4/c1-3-26-12-14-27(15-13-26)23-22-7-5-4-6-18(22)16-20(25-23)17-24-19-8-10-21(28-2)11-9-19;3-1(4)2(5)6/h4-11,16,24H,3,12-15,17H2,1-2H3;(H,3,4)(H,5,6)