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

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]isoquinolin-3-amine Openeye Name: 1-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]isoquinolin-3-amine; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-N-[(4-methoxyphenyl)methyl]-3-isoquinolinamine; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]isoquinolin-3-amine; oxalic acid Traditional Name: [1-(4-ethylpiperazino)-3-isoquinolyl]-p-anisyl-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)NCC4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NCC4=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)23-21-7-5-4-6-19(21)16-22(25-23)24-17-18-8-10-20(28-2)11-9-18;3-1(4)2(5)6/h4-11,16H,3,12-15,17H2,1-2H3,(H,24,25);(H,3,4)(H,5,6)