4,4-dibutyl-2-[3-(dimethylamino)propyl]-1H-isoquinolin-3-one

Systemtic Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]-1H-isoquinolin-3-one Openeye Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]-1H-isoquinolin-3-one CAS Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]-1H-isoquinolin-3-one IUPAC Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]-1H-isoquinolin-3-one Traditional Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]-1H-isoquinolin-3-one Formula: C22H36N2O MolecularWeight: 344.53404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=CC=CC=C2CN(C1=O)CCCN(C)C)CCCC

Isomeric SMILES

CCCCC1(C2=CC=CC=C2CN(C1=O)CCCN(C)C)CCCC

InChI

InChI=1S/C22H36N2O/c1-5-7-14-22(15-8-6-2)20-13-10-9-12-19(20)18-24(21(22)25)17-11-16-23(3)4/h9-10,12-13H,5-8,11,14-18H2,1-4H3