N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide

Systemtic Name: N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)valeramide Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H24N2O2/c1-2-3-9-20(24)22-19-11-10-16-12-13-23(15-18(16)14-19)21(25)17-7-5-4-6-8-17/h4-8,10-11,14H,2-3,9,12-13,15H2,1H3,(H,22,24)