2-ethyl-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]isoquinolin-1-one

Systemtic Name: 2-ethyl-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]isoquinolin-1-one Openeye Name: 5-[2-(4-benzyl-1-piperidyl)-2-oxo-ethoxy]-2-ethyl-isoquinolin-1-one CAS Name: 2-ethyl-5-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethoxy]-1-isoquinolinone IUPAC Name: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-2-ethylisoquinolin-1-one Traditional Name: 5-[2-(4-benzylpiperidino)-2-keto-ethoxy]-2-ethyl-isocarbostyril Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3/c1-2-26-16-13-21-22(25(26)29)9-6-10-23(21)30-18-24(28)27-14-11-20(12-15-27)17-19-7-4-3-5-8-19/h3-10,13,16,20H,2,11-12,14-15,17-18H2,1H3