1-(4-ethylpiperazin-1-yl)-3-[4-(3-pyridin-4-ylpropoxy)phenyl]isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-pyridin-4-ylpropoxy)phenyl]isoquinoline hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-[3-(4-pyridyl)propoxy]phenyl]isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(3-pyridin-4-ylpropoxy)phenyl]isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-pyridin-4-ylpropoxy)phenyl]isoquinoline hydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[4-[3-(4-pyridyl)propoxy]phenyl]isoquinoline hydrochloride Formula: C29H33ClN4O MolecularWeight: 489.05152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCCC5=CC=NC=C5.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCCC5=CC=NC=C5.Cl

InChI

InChI=1S/C29H32N4O.ClH/c1-2-32-17-19-33(20-18-32)29-27-8-4-3-7-25(27)22-28(31-29)24-9-11-26(12-10-24)34-21-5-6-23-13-15-30-16-14-23;/h3-4,7-16,22H,2,5-6,17-21H2,1H3;1H