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

Systemtic Name: 3-(4-methoxyphenyl)-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]propanamide Openeye Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]-3-(4-methoxyphenyl)propanamide CAS Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-3-(4-methoxyphenyl)propanamide Traditional Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]-3-(4-methoxyphenyl)propionamide Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O

InChI

InChI=1S/C26H30N2O4/c1-32-20-11-8-19(9-12-20)10-13-24(29)27-23-7-5-6-22-21(23)14-17-28(25(22)30)18-26(31)15-3-2-4-16-26/h5-9,11-12,14,17,31H,2-4,10,13,15-16,18H2,1H3,(H,27,29)