2-naphthalen-1-yl-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-naphthalen-1-yl-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-naphthyl)-N-[1-oxo-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]acetamide CAS Name: 2-(1-naphthalenyl)-N-[2-(4-oxanylmethyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-naphthalen-1-yl-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: N-[1-keto-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]-2-(1-naphthyl)acetamide Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1COCCC1CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H26N2O3/c30-26(17-21-7-3-6-20-5-1-2-8-22(20)21)28-25-10-4-9-24-23(25)11-14-29(27(24)31)18-19-12-15-32-16-13-19/h1-11,14,19H,12-13,15-18H2,(H,28,30)