6-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)isoquinolin-1-one hydrochloride

Systemtic Name: 6-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)isoquinolin-1-one hydrochloride Openeye Name: 6-methoxy-5-pentoxy-2-[2-(4-pyridyl)ethyl]isoquinolin-1-one hydrochloride CAS Name: 6-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)-1-isoquinolinone hydrochloride IUPAC Name: 6-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)isoquinolin-1-one hydrochloride Traditional Name: 5-amoxy-6-methoxy-2-[2-(4-pyridyl)ethyl]isocarbostyril hydrochloride Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C1C=CN(C2=O)CCC3=CC=NC=C3)OC.Cl

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1C=CN(C2=O)CCC3=CC=NC=C3)OC.Cl

InChI

InChI=1S/C22H26N2O3.ClH/c1-3-4-5-16-27-21-18-11-15-24(14-10-17-8-12-23-13-9-17)22(25)19(18)6-7-20(21)26-2;/h6-9,11-13,15H,3-5,10,14,16H2,1-2H3;1H