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

Systemtic Name: 2-bromanyl-2-ethyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide Openeye Name: 2-bromo-2-ethyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide CAS Name: 2-bromo-2-ethyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide IUPAC Name: 2-bromo-2-ethyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide Traditional Name: 2-bromo-2-ethyl-N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butyramide Formula: C17H20BrN3O2 MolecularWeight: 378.2636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O2/c1-3-17(18,4-2)16(23)19-11-7-5-10(6-8-11)14-12-9-13(12)15(22)21-20-14/h5-8,12-13H,3-4,9H2,1-2H3,(H,19,23)(H,21,22)