4-butyl-5-ethanoyl-5,7-diazabicyclo[4.1.0]hept-2-ene-7-carbonitrile

Systemtic Name: 4-butyl-5-ethanoyl-5,7-diazabicyclo[4.1.0]hept-2-ene-7-carbonitrile Openeye Name: 5-acetyl-4-butyl-5,7-diazabicyclo[4.1.0]hept-2-ene-7-carbonitrile CAS Name: 5-acetyl-4-butyl-5,7-diazabicyclo[4.1.0]hept-2-ene-7-carbonitrile IUPAC Name: 5-acetyl-4-butyl-5,7-diazabicyclo[4.1.0]hept-2-ene-7-carbonitrile Traditional Name: 5-acetyl-4-butyl-5,7-diazabicyclo[4.1.0]hept-2-ene-7-carbonitrile Formula: C12H17N3O MolecularWeight: 219.28288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC2C(N2C#N)N1C(=O)C

Isomeric SMILES

CCCCC1C=CC2C(N2C#N)N1C(=O)C

InChI

InChI=1S/C12H17N3O/c1-3-4-5-10-6-7-11-12(14(11)8-13)15(10)9(2)16/h6-7,10-12H,3-5H2,1-2H3