ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-(5-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-(5-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(5-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(5-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(5-methoxy-3,4-dihydronaphthalen-1-yl)isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-(5-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=C5OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CCCC5=C4C=CC=C5OC.C(=O)(C(=O)O)O

InChI

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