N-(3-oxidanylidenebutyl)isoquinoline-3-carboxamide

Systemtic Name: N-(3-oxidanylidenebutyl)isoquinoline-3-carboxamide Openeye Name: N-(3-oxobutyl)isoquinoline-3-carboxamide CAS Name: N-(3-oxobutyl)-3-isoquinolinecarboxamide IUPAC Name: N-(3-oxobutyl)isoquinoline-3-carboxamide Traditional Name: N-(3-ketobutyl)isoquinoline-3-carboxamide Formula: C14H14N2O2 MolecularWeight: 242.27316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCNC(=O)C1=CC2=CC=CC=C2C=N1

Isomeric SMILES

CC(=O)CCNC(=O)C1=CC2=CC=CC=C2C=N1

InChI

InChI=1S/C14H14N2O2/c1-10(17)6-7-15-14(18)13-8-11-4-2-3-5-12(11)9-16-13/h2-5,8-9H,6-7H2,1H3,(H,15,18)