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

Systemtic Name: 2-[4-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]ethynyl]phenoxy]ethanol Openeye Name: 2-[4-[2-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]ethynyl]phenoxy]ethanol CAS Name: 2-[4-[2-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]ethynyl]phenoxy]ethanol IUPAC Name: 2-[4-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]ethynyl]phenoxy]ethanol Traditional Name: 2-[4-[2-[1-(4-ethylpiperazino)-3-isoquinolyl]ethynyl]phenoxy]ethanol Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CC4=CC=C(C=C4)OCCO

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CC4=CC=C(C=C4)OCCO

InChI

InChI=1S/C25H27N3O2/c1-2-27-13-15-28(16-14-27)25-24-6-4-3-5-21(24)19-22(26-25)10-7-20-8-11-23(12-9-20)30-18-17-29/h3-6,8-9,11-12,19,29H,2,13-18H2,1H3