2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]cyclohexan-1-ol hydrochloride

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]cyclohexan-1-ol hydrochloride Openeye Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]cyclohexanol hydrochloride CAS Name: 2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]-1-cyclohexanol hydrochloride IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]cyclohexan-1-ol hydrochloride Traditional Name: 2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]cyclohexanol hydrochloride Formula: C27H34ClN3O2 MolecularWeight: 468.03076

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC5CCCCC5O.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC5CCCCC5O.Cl

InChI

InChI=1S/C27H33N3O2.ClH/c1-2-29-15-17-30(18-16-29)27-23-8-4-3-7-21(23)19-24(28-27)20-11-13-22(14-12-20)32-26-10-6-5-9-25(26)31;/h3-4,7-8,11-14,19,25-26,31H,2,5-6,9-10,15-18H2,1H3;1H