ethanedioic acid; 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-2-ol Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]propan-2-ol; oxalic acid CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-2-propanol; oxalic acid IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-2-ol; oxalic acid Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]propan-2-ol; oxalic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O.C2H2O4/c1-3-26-12-14-27(15-13-26)24-22-7-5-4-6-21(22)17-23(25-24)20-10-8-19(9-11-20)16-18(2)28;3-1(4)2(5)6/h4-11,17-18,28H,3,12-16H2,1-2H3;(H,3,4)(H,5,6)