1-tert-butyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonitrile

Systemtic Name: 1-tert-butyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonitrile Openeye Name: 1-tert-butyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonitrile CAS Name: 1-tert-butyl-3-(3,4-dimethylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 1-tert-butyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonitrile Traditional Name: 1-tert-butyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonitrile Formula: C16H19N3 MolecularWeight: 253.34216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C#N)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C#N)C(C)(C)C)C

InChI

InChI=1S/C16H19N3/c1-11-6-7-13(8-12(11)2)15-14(9-17)10-19(18-15)16(3,4)5/h6-8,10H,1-5H3