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

Systemtic Name: 3-(3-methoxyphenyl)-N-[2-(oxan-4-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]propanamide Openeye Name: 3-(3-methoxyphenyl)-N-[1-oxo-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]propanamide CAS Name: 3-(3-methoxyphenyl)-N-[2-(4-oxanylmethyl)-1-oxo-5-isoquinolinyl]propanamide IUPAC Name: 3-(3-methoxyphenyl)-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]propanamide Traditional Name: N-[1-keto-2-(tetrahydropyran-4-ylmethyl)-5-isoquinolyl]-3-(3-methoxyphenyl)propionamide Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4CCOCC4

InChI

InChI=1S/C25H28N2O4/c1-30-20-5-2-4-18(16-20)8-9-24(28)26-23-7-3-6-22-21(23)10-13-27(25(22)29)17-19-11-14-31-15-12-19/h2-7,10,13,16,19H,8-9,11-12,14-15,17H2,1H3,(H,26,28)