2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-ol dihydrochloride

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-ol dihydrochloride Openeye Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]tetrahydropyran-4-ol dihydrochloride CAS Name: 2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-4-oxanol dihydrochloride IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-ol dihydrochloride Traditional Name: 2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]tetrahydropyran-4-ol dihydrochloride Formula: C26H33Cl2N3O2 MolecularWeight: 490.46512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CC(CCO5)O.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CC(CCO5)O.Cl.Cl

InChI

InChI=1S/C26H31N3O2.2ClH/c1-2-28-12-14-29(15-13-28)26-23-6-4-3-5-21(23)17-24(27-26)19-7-9-20(10-8-19)25-18-22(30)11-16-31-25;;/h3-10,17,22,25,30H,2,11-16,18H2,1H3;2*1H