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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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