(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[2-methyl-4-(4-methylpiperazino)phenyl]acrylamide Formula: C21H23BrFN3O MolecularWeight: 432.329223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H23BrFN3O/c1-15-13-18(26-11-9-25(2)10-12-26)5-7-20(15)24-21(27)8-3-16-14-17(22)4-6-19(16)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)/b8-3+