2-bromanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]pentanamide

Systemtic Name: 2-bromanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]pentanamide Openeye Name: 2-bromo-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]pentanamide CAS Name: 2-bromo-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]pentanamide IUPAC Name: 2-bromo-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]pentanamide Traditional Name: 2-bromo-N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]valeramide Formula: C16H18BrN3O2 MolecularWeight: 364.23702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3)Br

Isomeric SMILES

CCCC(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3)Br

InChI

InChI=1S/C16H18BrN3O2/c1-2-3-13(17)16(22)18-10-6-4-9(5-7-10)14-11-8-12(11)15(21)20-19-14/h4-7,11-13H,2-3,8H2,1H3,(H,18,22)(H,20,21)