5-methoxy-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-1-one

Systemtic Name: 5-methoxy-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-1-one Openeye Name: 5-methoxy-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-1-one CAS Name: 5-methoxy-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-isoquinolinone IUPAC Name: 5-methoxy-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-1-one Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]-5-methoxy-isocarbostyril Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c1-28-20-9-5-8-19-18(20)10-11-25(22(19)27)16-21(26)24-14-12-23(13-15-24)17-6-3-2-4-7-17/h2-11H,12-16H2,1H3