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

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[6-(3-methoxypropyl)pyridin-3-yl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[6-(3-methoxypropyl)-3-pyridyl]isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[6-(3-methoxypropyl)-3-pyridinyl]isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[6-(3-methoxypropyl)pyridin-3-yl]isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-[6-(3-methoxypropyl)-3-pyridyl]isoquinoline; oxalic acid Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O.C2H2O4/c1-3-27-12-14-28(15-13-27)24-22-9-5-4-7-19(22)17-23(26-24)20-10-11-21(25-18-20)8-6-16-29-2;3-1(4)2(5)6/h4-5,7,9-11,17-18H,3,6,8,12-16H2,1-2H3;(H,3,4)(H,5,6)