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

Systemtic Name: 3-(3-bromanyl-4-fluoranyl-phenyl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-3-(3-bromo-4-fluoro-phenyl)prop-2-enamide CAS Name: 3-(3-bromo-4-fluorophenyl)-N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: 3-(3-bromo-4-fluorophenyl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]prop-2-enamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-3-(3-bromo-4-fluoro-phenyl)acrylamide Formula: C21H19BrFN3O2 MolecularWeight: 444.296863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCN2C=C(C=N2)NC(=O)C=CC3=CC(=C(C=C3)F)Br

Isomeric SMILES

C1=CC=C(C=C1)COCCN2C=C(C=N2)NC(=O)C=CC3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C21H19BrFN3O2/c22-19-12-16(6-8-20(19)23)7-9-21(27)25-18-13-24-26(14-18)10-11-28-15-17-4-2-1-3-5-17/h1-9,12-14H,10-11,15H2,(H,25,27)