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

Systemtic Name: 2-(2-ethoxyethyl)-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-(2-ethoxyethyl)isoquinolin-1-one CAS Name: 2-(2-ethoxyethyl)-5-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethoxy]-1-isoquinolinone IUPAC Name: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one Traditional Name: 5-[2-(4-benzylpiperidino)-2-keto-ethoxy]-2-(2-ethoxyethyl)isocarbostyril Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4/c1-2-32-18-17-29-16-13-23-24(27(29)31)9-6-10-25(23)33-20-26(30)28-14-11-22(12-15-28)19-21-7-4-3-5-8-21/h3-10,13,16,22H,2,11-12,14-15,17-20H2,1H3