ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[(2-methoxyphenyl)methyl]isoquinoline

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[(2-methoxyphenyl)methyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[(2-methoxyphenyl)methyl]isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[(2-methoxyphenyl)methyl]isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[(2-methoxyphenyl)methyl]isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-o-anisyl-isoquinoline; oxalic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CC4=CC=CC=C4OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CC4=CC=CC=C4OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27N3O.C2H2O4/c1-3-25-12-14-26(15-13-25)23-21-10-6-4-8-18(21)16-20(24-23)17-19-9-5-7-11-22(19)27-2;3-1(4)2(5)6/h4-11,16H,3,12-15,17H2,1-2H3;(H,3,4)(H,5,6)