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

Systemtic Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-benzyl-3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide CAS Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-benzyl-3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Traditional Name: N-benzyl-3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Formula: C20H17BrN4O MolecularWeight: 409.27918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

InChI

InChI=1S/C20H17BrN4O/c21-17-9-4-8-16(12-17)19-18(14-25(24-19)11-5-10-22)20(26)23-13-15-6-2-1-3-7-15/h1-4,6-9,12,14H,5,11,13H2,(H,23,26)