(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[3-(1-pyrazolylmethyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acrylamide Formula: C20H18BrN3O2 MolecularWeight: 412.27982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C20H18BrN3O2/c1-26-19-8-7-17(21)13-16(19)6-9-20(25)23-18-5-2-4-15(12-18)14-24-11-3-10-22-24/h2-13H,14H2,1H3,(H,23,25)/b9-6+