N-[2-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pentanamide

Systemtic Name: N-[2-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pentanamide Openeye Name: N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide CAS Name: N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide IUPAC Name: N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide Traditional Name: N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]valeramide Formula: C21H24Cl2N2O MolecularWeight: 391.33406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC=C1C2CN(CC3=C(C=C(C=C23)Cl)Cl)C

Isomeric SMILES

CCCCC(=O)NC1=CC=CC=C1C2CN(CC3=C(C=C(C=C23)Cl)Cl)C

InChI

InChI=1S/C21H24Cl2N2O/c1-3-4-9-21(26)24-20-8-6-5-7-15(20)17-12-25(2)13-18-16(17)10-14(22)11-19(18)23/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)