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

Systemtic Name: 2-(2-ethoxyethyl)-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]isoquinolin-1-one Openeye Name: 2-(2-ethoxyethyl)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]isoquinolin-1-one CAS Name: 2-(2-ethoxyethyl)-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-1-isoquinolinone IUPAC Name: 2-(2-ethoxyethyl)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]isoquinolin-1-one Traditional Name: 2-(2-ethoxyethyl)-5-[2-keto-2-(4-phenylpiperazino)ethoxy]isocarbostyril Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-2-31-18-17-28-12-11-21-22(25(28)30)9-6-10-23(21)32-19-24(29)27-15-13-26(14-16-27)20-7-4-3-5-8-20/h3-12H,2,13-19H2,1H3