N-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methyl]-N-(phenylmethyl)benzamide

Systemtic Name: N-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methyl]benzamide CAS Name: N-[[3-(4-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolyl]methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methyl]benzamide Traditional Name: N-benzyl-N-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methyl]benzamide Formula: C27H23BrN4O MolecularWeight: 499.40172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=C(C=C3)Br)CCC#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=C(C=C3)Br)CCC#N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23BrN4O/c28-25-14-12-22(13-15-25)26-24(20-32(30-26)17-7-16-29)19-31(18-21-8-3-1-4-9-21)27(33)23-10-5-2-6-11-23/h1-6,8-15,20H,7,17-19H2