1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]phenoxy]ethane-1,2-diol

Systemtic Name: 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]phenoxy]ethane-1,2-diol Openeye Name: 1-[3-[1-(4-ethylpiperazin-1-yl)-4-isoquinolyl]phenoxy]ethane-1,2-diol CAS Name: 1-[3-[1-(4-ethyl-1-piperazinyl)-4-isoquinolinyl]phenoxy]ethane-1,2-diol IUPAC Name: 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]phenoxy]ethane-1,2-diol Traditional Name: 1-[3-[1-(4-ethylpiperazino)-4-isoquinolyl]phenoxy]ethane-1,2-diol Formula: C23H27N3O3 MolecularWeight: 393.47878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C4=CC(=CC=C4)OC(CO)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C4=CC(=CC=C4)OC(CO)O

InChI

InChI=1S/C23H27N3O3/c1-2-25-10-12-26(13-11-25)23-20-9-4-3-8-19(20)21(15-24-23)17-6-5-7-18(14-17)29-22(28)16-27/h3-9,14-15,22,27-28H,2,10-13,16H2,1H3