3-azanyl-1-dodecyl-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-1-dodecyl-pyrazole-4-carbonitrile Openeye Name: 3-amino-1-dodecyl-pyrazole-4-carbonitrile CAS Name: 3-amino-1-dodecyl-4-pyrazolecarbonitrile IUPAC Name: 3-amino-1-dodecylpyrazole-4-carbonitrile Traditional Name: 3-amino-1-lauryl-pyrazole-4-carbonitrile Formula: C16H28N4 MolecularWeight: 276.42032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C(C(=N1)N)C#N

Isomeric SMILES

CCCCCCCCCCCCN1C=C(C(=N1)N)C#N

InChI

InChI=1S/C16H28N4/c1-2-3-4-5-6-7-8-9-10-11-12-20-14-15(13-17)16(18)19-20/h14H,2-12H2,1H3,(H2,18,19)