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

Systemtic Name: 2-[3-[3-ethenyl-1-(4-ethylpiperazin-1-yl)-1H-isoquinolin-2-yl]phenoxy]ethanol Openeye Name: 2-[3-[1-(4-ethylpiperazin-1-yl)-3-vinyl-1H-isoquinolin-2-yl]phenoxy]ethanol CAS Name: 2-[3-[3-ethenyl-1-(4-ethyl-1-piperazinyl)-1H-isoquinolin-2-yl]phenoxy]ethanol IUPAC Name: 2-[3-[3-ethenyl-1-(4-ethylpiperazin-1-yl)-1H-isoquinolin-2-yl]phenoxy]ethanol Traditional Name: 2-[3-[1-(4-ethylpiperazino)-3-vinyl-1H-isoquinolin-2-yl]phenoxy]ethanol Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2C3=CC=CC=C3C=C(N2C4=CC(=CC=C4)OCCO)C=C

Isomeric SMILES

CCN1CCN(CC1)C2C3=CC=CC=C3C=C(N2C4=CC(=CC=C4)OCCO)C=C

InChI

InChI=1S/C25H31N3O2/c1-3-21-18-20-8-5-6-11-24(20)25(27-14-12-26(4-2)13-15-27)28(21)22-9-7-10-23(19-22)30-17-16-29/h3,5-11,18-19,25,29H,1,4,12-17H2,2H3