1-(4-ethylpiperazin-1-yl)-3-[2-(3-pyridin-3-ylpropoxy)phenyl]isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[2-(3-pyridin-3-ylpropoxy)phenyl]isoquinoline hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[2-[3-(3-pyridyl)propoxy]phenyl]isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[2-[3-(3-pyridinyl)propoxy]phenyl]isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[2-(3-pyridin-3-ylpropoxy)phenyl]isoquinoline hydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[2-[3-(3-pyridyl)propoxy]phenyl]isoquinoline hydrochloride Formula: C29H33ClN4O MolecularWeight: 489.05152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4OCCCC5=CN=CC=C5.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4OCCCC5=CN=CC=C5.Cl

InChI

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