3-tert-butyl-1-oxidanylidene-2H-isoquinoline-7-carboxamide

Systemtic Name: 3-tert-butyl-1-oxidanylidene-2H-isoquinoline-7-carboxamide Openeye Name: 3-tert-butyl-1-oxo-2H-isoquinoline-7-carboxamide CAS Name: 3-tert-butyl-1-oxo-2H-isoquinoline-7-carboxamide IUPAC Name: 3-tert-butyl-1-oxo-2H-isoquinoline-7-carboxamide Traditional Name: 3-tert-butyl-1-keto-2H-isoquinoline-7-carboxamide Formula: C14H16N2O2 MolecularWeight: 244.28904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C(C=C2)C(=O)N)C(=O)N1

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C(C=C2)C(=O)N)C(=O)N1

InChI

InChI=1S/C14H16N2O2/c1-14(2,3)11-7-8-4-5-9(12(15)17)6-10(8)13(18)16-11/h4-7H,1-3H3,(H2,15,17)(H,16,18)