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

Systemtic Name: 3-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)isoquinolin-1-one Openeye Name: 3-methoxy-5-pentoxy-2-[2-(4-pyridyl)ethyl]isoquinolin-1-one CAS Name: 3-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)-1-isoquinolinone IUPAC Name: 3-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)isoquinolin-1-one Traditional Name: 5-amoxy-3-methoxy-2-[2-(4-pyridyl)ethyl]isocarbostyril Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC2=C1C=C(N(C2=O)CCC3=CC=NC=C3)OC

Isomeric SMILES

CCCCCOC1=CC=CC2=C1C=C(N(C2=O)CCC3=CC=NC=C3)OC

InChI

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