ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[6-(3-methoxybutyl)pyridin-3-yl]isoquinoline

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[6-(3-methoxybutyl)pyridin-3-yl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[6-(3-methoxybutyl)-3-pyridyl]isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[6-(3-methoxybutyl)-3-pyridinyl]isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[6-(3-methoxybutyl)pyridin-3-yl]isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-[6-(3-methoxybutyl)-3-pyridyl]isoquinoline; oxalic acid Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O.C2H2O4/c1-4-28-13-15-29(16-14-28)25-23-8-6-5-7-20(23)17-24(27-25)21-10-12-22(26-18-21)11-9-19(2)30-3;3-1(4)2(5)6/h5-8,10,12,17-19H,4,9,11,13-16H2,1-3H3;(H,3,4)(H,5,6)