(E)-3-(2-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(2-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(2-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(2-bromophenyl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(2-bromophenyl)-N-[2-(pyrazol-1-ylmethyl)benzyl]acrylamide Formula: C20H18BrN3O MolecularWeight: 396.28042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C=CC2=CC=CC=C2Br)CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)/C=C/C2=CC=CC=C2Br)CN3C=CC=N3

InChI

InChI=1S/C20H18BrN3O/c21-19-9-4-3-6-16(19)10-11-20(25)22-14-17-7-1-2-8-18(17)15-24-13-5-12-23-24/h1-13H,14-15H2,(H,22,25)/b11-10+