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

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]acrylamide Formula: C22H25BrFN3O MolecularWeight: 446.355803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C=CC3=C(C=CC(=C3)Br)F)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)F)C

InChI

InChI=1S/C22H25BrFN3O/c1-3-26-10-12-27(13-11-26)19-6-8-21(16(2)14-19)25-22(28)9-4-17-15-18(23)5-7-20(17)24/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,28)/b9-4+