N-isoquinolin-5-yl-4-(3-methylphenoxy)butanamide

Systemtic Name: N-isoquinolin-5-yl-4-(3-methylphenoxy)butanamide Openeye Name: N-(5-isoquinolyl)-4-(3-methylphenoxy)butanamide CAS Name: N-(5-isoquinolinyl)-4-(3-methylphenoxy)butanamide IUPAC Name: N-isoquinolin-5-yl-4-(3-methylphenoxy)butanamide Traditional Name: N-(5-isoquinolyl)-4-(3-methylphenoxy)butyramide Formula: C20H20N2O2 MolecularWeight: 320.385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H20N2O2/c1-15-5-2-7-17(13-15)24-12-4-9-20(23)22-19-8-3-6-16-14-21-11-10-18(16)19/h2-3,5-8,10-11,13-14H,4,9,12H2,1H3,(H,22,23)