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

Systemtic Name: ethanedioic acid; 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2-methyl-propan-2-ol Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]-2-methyl-propan-2-ol; oxalic acid CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-2-methyl-2-propanol; oxalic acid IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2-methylpropan-2-ol; oxalic acid Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]-2-methyl-propan-2-ol; oxalic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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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)(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)(C)O.C(=O)(C(=O)O)O

InChI

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