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

Systemtic Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Openeye Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide CAS Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Traditional Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Formula: C13H11BrN4O MolecularWeight: 319.15664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN(C=C2C(=O)N)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN(C=C2C(=O)N)CCC#N

InChI

InChI=1S/C13H11BrN4O/c14-10-4-1-3-9(7-10)12-11(13(16)19)8-18(17-12)6-2-5-15/h1,3-4,7-8H,2,6H2,(H2,16,19)