3-(3-bromanyl-4-fluoranyl-phenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]prop-2-enamide

Systemtic Name: 3-(3-bromanyl-4-fluoranyl-phenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]prop-2-enamide Openeye Name: 3-(3-bromo-4-fluoro-phenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]prop-2-enamide CAS Name: 3-(3-bromo-4-fluorophenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]-4-pyrazolyl]-2-propenamide IUPAC Name: 3-(3-bromo-4-fluorophenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]prop-2-enamide Traditional Name: 3-(3-bromo-4-fluoro-phenyl)-N-(1-o-veratrylpyrazol-4-yl)acrylamide Formula: C21H19BrFN3O3 MolecularWeight: 460.296263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=O)C=CC3=CC(=C(C=C3)F)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=O)C=CC3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C21H19BrFN3O3/c1-28-19-5-3-4-15(21(19)29-2)12-26-13-16(11-24-26)25-20(27)9-7-14-6-8-18(23)17(22)10-14/h3-11,13H,12H2,1-2H3,(H,25,27)