N-(1-cyano-3-methyl-2-oxidanylidene-heptan-3-yl)pyrazole-1-carboxamide

Systemtic Name: N-(1-cyano-3-methyl-2-oxidanylidene-heptan-3-yl)pyrazole-1-carboxamide Openeye Name: N-[1-(2-cyanoacetyl)-1-methyl-pentyl]pyrazole-1-carboxamide CAS Name: N-(1-cyano-3-methyl-2-oxoheptan-3-yl)-1-pyrazolecarboxamide IUPAC Name: N-(1-cyano-3-methyl-2-oxoheptan-3-yl)pyrazole-1-carboxamide Traditional Name: N-[1-(2-cyanoacetyl)-1-methyl-pentyl]pyrazole-1-carboxamide Formula: C13H18N4O2 MolecularWeight: 262.30762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=O)CC#N)NC(=O)N1C=CC=N1

Isomeric SMILES

CCCCC(C)(C(=O)CC#N)NC(=O)N1C=CC=N1

InChI

InChI=1S/C13H18N4O2/c1-3-4-7-13(2,11(18)6-8-14)16-12(19)17-10-5-9-15-17/h5,9-10H,3-4,6-7H2,1-2H3,(H,16,19)