6-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-4-yl]hexanal

Systemtic Name: 6-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-4-yl]hexanal Openeye Name: 6-(2-benzyl-1-oxo-4-isoquinolyl)hexanal CAS Name: 6-[1-oxo-2-(phenylmethyl)-4-isoquinolinyl]hexanal IUPAC Name: 6-(2-benzyl-1-oxoisoquinolin-4-yl)hexanal Traditional Name: 6-(2-benzyl-1-keto-4-isoquinolyl)hexanal Formula: C22H23NO2 MolecularWeight: 333.42352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C3C2=O)CCCCCC=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C3C2=O)CCCCCC=O

InChI

InChI=1S/C22H23NO2/c24-15-9-2-1-6-12-19-17-23(16-18-10-4-3-5-11-18)22(25)21-14-8-7-13-20(19)21/h3-5,7-8,10-11,13-15,17H,1-2,6,9,12,16H2