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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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