1-(4-ethylpiperazin-1-yl)-3-(2-phenylmethoxypyridin-4-yl)isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(2-phenylmethoxypyridin-4-yl)isoquinoline hydrochloride Openeye Name: 3-(2-benzyloxy-4-pyridyl)-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(2-phenylmethoxy-4-pyridinyl)isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(2-phenylmethoxypyridin-4-yl)isoquinoline hydrochloride Traditional Name: 3-(2-benzoxy-4-pyridyl)-1-(4-ethylpiperazino)isoquinoline hydrochloride Formula: C27H29ClN4O MolecularWeight: 460.99836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=NC=C4)OCC5=CC=CC=C5.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=NC=C4)OCC5=CC=CC=C5.Cl

InChI

InChI=1S/C27H28N4O.ClH/c1-2-30-14-16-31(17-15-30)27-24-11-7-6-10-22(24)18-25(29-27)23-12-13-28-26(19-23)32-20-21-8-4-3-5-9-21;/h3-13,18-19H,2,14-17,20H2,1H3;1H