2-cyano-2-methyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide

Systemtic Name: 2-cyano-2-methyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide Openeye Name: 2-cyano-2-methyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide CAS Name: 2-cyano-2-methyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide IUPAC Name: 2-cyano-2-methyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide Traditional Name: 2-cyano-N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]-2-methyl-propionamide Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

Isomeric SMILES

CC(C)(C#N)C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

InChI

InChI=1S/C16H16N4O2/c1-16(2,8-17)15(22)18-10-5-3-9(4-6-10)13-11-7-12(11)14(21)20-19-13/h3-6,11-12H,7H2,1-2H3,(H,18,22)(H,20,21)