1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C13H17NO MolecularWeight: 202.280914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CCC[11C](=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C13H17NO/c1-2-5-13(15)14-9-8-11-6-3-4-7-12(11)10-14/h3-4,6-7H,2,5,8-10H2,1H3/i13-1