3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonitrile

Systemtic Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonitrile Openeye Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonitrile CAS Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolecarbonitrile IUPAC Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonitrile Traditional Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonitrile Formula: C13H9BrN4 MolecularWeight: 301.14136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C#N)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C#N)CCC#N)Br

InChI

InChI=1S/C13H9BrN4/c14-12-4-2-10(3-5-12)13-11(8-16)9-18(17-13)7-1-6-15/h2-5,9H,1,7H2