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

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]ethanenitrile hydrochloride Openeye Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]acetonitrile hydrochloride CAS Name: 2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]acetonitrile hydrochloride IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]acetonitrile hydrochloride Traditional Name: 2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]acetonitrile hydrochloride Formula: C23H25ClN4O MolecularWeight: 408.9238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCC#N.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCC#N.Cl

InChI

InChI=1S/C23H24N4O.ClH/c1-2-26-12-14-27(15-13-26)23-21-6-4-3-5-19(21)17-22(25-23)18-7-9-20(10-8-18)28-16-11-24;/h3-10,17H,2,12-16H2,1H3;1H