N-[3-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methyl-phenyl]-2-methyl-propanamide

Systemtic Name: N-[3-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methyl-phenyl]-2-methyl-propanamide Openeye Name: N-[3-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-4-methyl-phenyl]-2-methyl-propanamide CAS Name: N-[3-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methylphenyl]-2-methylpropanamide IUPAC Name: N-[3-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]-2-methylpropanamide Traditional Name: N-[3-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-4-methyl-phenyl]-2-methyl-propionamide Formula: C20H20BrFN2O2 MolecularWeight: 419.287403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C20H20BrFN2O2/c1-12(2)20(26)23-16-7-4-13(3)18(11-16)24-19(25)9-5-14-10-15(21)6-8-17(14)22/h4-12H,1-3H3,(H,23,26)(H,24,25)/b9-5+