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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=CCC2=CC(=CC=C2)OCCO)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CCN1CCN(CC1)/C(=C/CC2=CC(=CC=C2)OCCO)/C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C26H31N3O2/c1-2-28-14-16-29(17-15-28)25(26-24-9-4-3-7-22(24)12-13-27-26)11-10-21-6-5-8-23(20-21)31-19-18-30/h3-9,11-13,20,30H,2,10,14-19H2,1H3/b25-11+