2-[2-[(E)-3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]prop-2-enyl]phenoxy]ethanol

Systemtic Name: 2-[2-[(E)-3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]prop-2-enyl]phenoxy]ethanol Openeye Name: 2-[2-[(E)-3-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]allyl]phenoxy]ethanol CAS Name: 2-[2-[(E)-3-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]prop-2-enyl]phenoxy]ethanol IUPAC Name: 2-[2-[(E)-3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]prop-2-enyl]phenoxy]ethanol Traditional Name: 2-[2-[(E)-3-[1-(4-ethylpiperazino)-3-isoquinolyl]allyl]phenoxy]ethanol Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C=CCC4=CC=CC=C4OCCO

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)/C=C/CC4=CC=CC=C4OCCO

InChI

InChI=1S/C26H31N3O2/c1-2-28-14-16-29(17-15-28)26-24-12-5-3-9-22(24)20-23(27-26)11-7-10-21-8-4-6-13-25(21)31-19-18-30/h3-9,11-13,20,30H,2,10,14-19H2,1H3/b11-7+