2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-propan-2-yl-phenoxy]ethanol hydrochloride

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-propan-2-yl-phenoxy]ethanol hydrochloride Openeye Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-isopropyl-phenoxy]ethanol hydrochloride CAS Name: 2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-propan-2-ylphenoxy]ethanol hydrochloride IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-propan-2-ylphenoxy]ethanol hydrochloride Traditional Name: 2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-isopropyl-phenoxy]ethanol hydrochloride Formula: C26H34ClN3O2 MolecularWeight: 456.02006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2.ClH/c1-4-28-11-13-29(14-12-28)26-22-8-6-5-7-20(22)18-24(27-26)21-9-10-25(31-16-15-30)23(17-21)19(2)3;/h5-10,17-19,30H,4,11-16H2,1-3H3;1H