5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]-2H-isoquinolin-1-one

Systemtic Name: 5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]-2H-isoquinolin-1-one Openeye Name: 5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2H-isoquinolin-1-one CAS Name: 5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-2H-isoquinolin-1-one IUPAC Name: 5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2H-isoquinolin-1-one Traditional Name: 5-[2-keto-2-(4-phenylpiperazino)ethoxy]isocarbostyril Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=CC4=C3C=CNC4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=CC4=C3C=CNC4=O

InChI

InChI=1S/C21H21N3O3/c25-20(24-13-11-23(12-14-24)16-5-2-1-3-6-16)15-27-19-8-4-7-18-17(19)9-10-22-21(18)26/h1-10H,11-15H2,(H,22,26)