ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline; oxalic acid Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CCCC5=C4C=CC(=C5)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CCCC5=C4C=CC(=C5)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29N3O.C2H2O4/c1-3-28-13-15-29(16-14-28)26-23-9-5-4-7-20(23)18-25(27-26)24-10-6-8-19-17-21(30-2)11-12-22(19)24;3-1(4)2(5)6/h4-5,7,9-12,17-18H,3,6,8,13-16H2,1-2H3;(H,3,4)(H,5,6)