5-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2H-isoquinolin-1-one

Systemtic Name: 5-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2H-isoquinolin-1-one Openeye Name: 5-[3-[4-(2-pyridyl)piperazin-1-yl]propoxy]-2H-isoquinolin-1-one CAS Name: 5-[3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]-2H-isoquinolin-1-one IUPAC Name: 5-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2H-isoquinolin-1-one Traditional Name: 5-[3-[4-(2-pyridyl)piperazino]propoxy]isocarbostyril Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC3=C2C=CNC3=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC3=C2C=CNC3=O)C4=CC=CC=N4

InChI

InChI=1S/C21H24N4O2/c26-21-18-5-3-6-19(17(18)8-10-23-21)27-16-4-11-24-12-14-25(15-13-24)20-7-1-2-9-22-20/h1-3,5-10H,4,11-16H2,(H,23,26)