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

Systemtic Name: 5-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]-2-propyl-isoquinolin-1-one Openeye Name: 5-[2-(4-benzyl-1-piperidyl)-2-oxo-ethoxy]-2-propyl-isoquinolin-1-one CAS Name: 5-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethoxy]-2-propyl-1-isoquinolinone IUPAC Name: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one Traditional Name: 5-[2-(4-benzylpiperidino)-2-keto-ethoxy]-2-propyl-isocarbostyril Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3/c1-2-14-28-17-13-22-23(26(28)30)9-6-10-24(22)31-19-25(29)27-15-11-21(12-16-27)18-20-7-4-3-5-8-20/h3-10,13,17,21H,2,11-12,14-16,18-19H2,1H3