N-[4-(2-oxidanylidenepropyl)phenyl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-(2-oxidanylidenepropyl)phenyl]isoquinoline-3-carboxamide Openeye Name: N-(4-acetonylphenyl)isoquinoline-3-carboxamide CAS Name: N-[4-(2-oxopropyl)phenyl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-(2-oxopropyl)phenyl]isoquinoline-3-carboxamide Traditional Name: N-(4-acetonylphenyl)isoquinoline-3-carboxamide Formula: C19H16N2O2 MolecularWeight: 304.34254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C19H16N2O2/c1-13(22)10-14-6-8-17(9-7-14)21-19(23)18-11-15-4-2-3-5-16(15)12-20-18/h2-9,11-12H,10H2,1H3,(H,21,23)