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

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methoxyphenyl)ethyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methoxyphenyl)ethyl]isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[1-(4-methoxyphenyl)ethyl]isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[1-(4-methoxyphenyl)ethyl]isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-[1-(4-methoxyphenyl)ethyl]isoquinoline; oxalic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O.C2H2O4/c1-4-26-13-15-27(16-14-26)24-22-8-6-5-7-20(22)17-23(25-24)18(2)19-9-11-21(28-3)12-10-19;3-1(4)2(5)6/h5-12,17-18H,4,13-16H2,1-3H3;(H,3,4)(H,5,6)