5-[(E)-azepan-1-ylmethylideneamino]-1-methyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(E)-azepan-1-ylmethylideneamino]-1-methyl-pyrazole-4-carbonitrile Openeye Name: 5-[(E)-azepan-1-ylmethyleneamino]-1-methyl-pyrazole-4-carbonitrile CAS Name: 5-[(E)-1-azepanylmethylideneamino]-1-methyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(E)-azepan-1-ylmethylideneamino]-1-methylpyrazole-4-carbonitrile Traditional Name: 5-[(E)-azepan-1-ylmethyleneamino]-1-methyl-pyrazole-4-carbonitrile Formula: C12H17N5 MolecularWeight: 231.29688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)N=CN2CCCCCC2

Isomeric SMILES

CN1C(=C(C=N1)C#N)/N=C/N2CCCCCC2

InChI

InChI=1S/C12H17N5/c1-16-12(11(8-13)9-15-16)14-10-17-6-4-2-3-5-7-17/h9-10H,2-7H2,1H3/b14-10+