1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-pentan-1-one

Systemtic Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-pentan-1-one Openeye Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-pentan-1-one CAS Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-1-pentanone IUPAC Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpentan-1-one Traditional Name: 1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-pentan-1-one Formula: C21H24ClNO MolecularWeight: 341.87436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(C)C(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO/c1-3-6-15(2)21(24)23-14-13-16-7-4-5-8-19(16)20(23)17-9-11-18(22)12-10-17/h4-5,7-12,15,20H,3,6,13-14H2,1-2H3