5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-(2-methylbutan-2-yl)pyrazole-3-carboxamide

Systemtic Name: 5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-(2-methylbutan-2-yl)pyrazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-(1,1-dimethylpropyl)pyrazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-(2-methylbutan-2-yl)-3-pyrazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-(2-methylbutan-2-yl)pyrazole-3-carboxamide Traditional Name: N-tert-amyl-5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)pyrazole-3-carboxamide Formula: C22H19BrCl2N4O MolecularWeight: 506.22246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=NN(C(=C1C#N)C2=CC=C(C=C2)Br)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCC(C)(C)NC(=O)C1=NN(C(=C1C#N)C2=CC=C(C=C2)Br)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H19BrCl2N4O/c1-4-22(2,3)27-21(30)19-16(12-26)20(13-5-7-14(23)8-6-13)29(28-19)18-10-9-15(24)11-17(18)25/h5-11H,4H2,1-3H3,(H,27,30)