N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-2-ethyl-butanamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-2-ethyl-butanamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-ethyl-butanamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-2-ethylbutanamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-ethylbutanamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-ethyl-butyramide Formula: C22H26N2O2 MolecularWeight: 350.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H26N2O2/c1-3-16(4-2)21(25)23-20-11-9-18(10-12-20)22(26)24-14-13-17-7-5-6-8-19(17)15-24/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,25)