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

Systemtic Name: 2-[2-[(E)-2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]ethenyl]phenoxy]ethanol Openeye Name: 2-[2-[(E)-2-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]vinyl]phenoxy]ethanol CAS Name: 2-[2-[(E)-2-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]ethenyl]phenoxy]ethanol IUPAC Name: 2-[2-[(E)-2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]ethenyl]phenoxy]ethanol Traditional Name: 2-[2-[(E)-2-[1-(4-ethylpiperazino)-3-isoquinolyl]vinyl]phenoxy]ethanol Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)/C=C/C4=CC=CC=C4OCCO

InChI

InChI=1S/C25H29N3O2/c1-2-27-13-15-28(16-14-27)25-23-9-5-3-8-21(23)19-22(26-25)12-11-20-7-4-6-10-24(20)30-18-17-29/h3-12,19,29H,2,13-18H2,1H3/b12-11+