N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]-2-phenyl-propanamide

Systemtic Name: N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]-2-phenyl-propanamide Openeye Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]-2-phenyl-propanamide CAS Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]-2-phenylpropanamide IUPAC Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-2-phenylpropanamide Traditional Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]-2-phenyl-propionamide Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-18(19-9-4-2-5-10-19)23(28)26-22-12-8-11-21-20(22)13-16-27(24(21)29)17-25(30)14-6-3-7-15-25/h2,4-5,8-13,16,18,30H,3,6-7,14-15,17H2,1H3,(H,26,28)