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

Systemtic Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propanenitrile hydrochloride Openeye Name: 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]propanenitrile hydrochloride CAS Name: 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]propanenitrile hydrochloride IUPAC Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propanenitrile hydrochloride Traditional Name: 3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]propionitrile hydrochloride Formula: C24H27ClN4O MolecularWeight: 422.95038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O.ClH/c1-2-27-13-15-28(16-14-27)24-22-7-4-3-6-20(22)18-23(26-24)19-8-10-21(11-9-19)29-17-5-12-25;/h3-4,6-11,18H,2,5,13-17H2,1H3;1H