2-[4-methyl-1-oxidanylidene-2-(phenylmethyl)-3H-isoquinolin-4-yl]ethanenitrile

Systemtic Name: 2-[4-methyl-1-oxidanylidene-2-(phenylmethyl)-3H-isoquinolin-4-yl]ethanenitrile Openeye Name: 2-(2-benzyl-4-methyl-1-oxo-3H-isoquinolin-4-yl)acetonitrile CAS Name: 2-[4-methyl-1-oxo-2-(phenylmethyl)-3H-isoquinolin-4-yl]acetonitrile IUPAC Name: 2-(2-benzyl-4-methyl-1-oxo-3H-isoquinolin-4-yl)acetonitrile Traditional Name: 2-(2-benzyl-1-keto-4-methyl-3H-isoquinolin-4-yl)acetonitrile Formula: C19H18N2O MolecularWeight: 290.35902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)CC#N

Isomeric SMILES

CC1(CN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)CC#N

InChI

InChI=1S/C19H18N2O/c1-19(11-12-20)14-21(13-15-7-3-2-4-8-15)18(22)16-9-5-6-10-17(16)19/h2-10H,11,13-14H2,1H3