3-ethoxy-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]benzamide

Systemtic Name: 3-ethoxy-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]benzamide Openeye Name: 3-ethoxy-N-[1-oxo-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]benzamide CAS Name: 3-ethoxy-N-[2-(4-oxanylmethyl)-1-oxo-5-isoquinolinyl]benzamide IUPAC Name: 3-ethoxy-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]benzamide Traditional Name: 3-ethoxy-N-[1-keto-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]benzamide Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4CCOCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4CCOCC4

InChI

InChI=1S/C24H26N2O4/c1-2-30-19-6-3-5-18(15-19)23(27)25-22-8-4-7-21-20(22)9-12-26(24(21)28)16-17-10-13-29-14-11-17/h3-9,12,15,17H,2,10-11,13-14,16H2,1H3,(H,25,27)