ethanedioic acid; 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-1-ol

Systemtic Name: ethanedioic acid; 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-1-ol Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]butan-1-ol; oxalic acid CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-1-butanol; oxalic acid IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-1-ol; oxalic acid Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]butan-1-ol; oxalic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31N3O.C2H2O4/c1-3-7-24(29)20-12-10-19(11-13-20)23-18-21-8-5-6-9-22(21)25(26-23)28-16-14-27(4-2)15-17-28;3-1(4)2(5)6/h5-6,8-13,18,24,29H,3-4,7,14-17H2,1-2H3;(H,3,4)(H,5,6)