8-ethyl-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 8-ethyl-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-8-ethyl-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-8-ethyl-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-8-ethyl-1H-isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-8-ethyl-1H-isoquinoline-1-carbonitrile Formula: C19H16N2O MolecularWeight: 288.34314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C(N(C=C2)C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=CC=CC2=C1C(N(C=C2)C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H16N2O/c1-2-14-9-6-10-15-11-12-21(17(13-20)18(14)15)19(22)16-7-4-3-5-8-16/h3-12,17H,2H2,1H3