(E)-3-[5-bromanyl-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-bromanyl-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-3-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluoro-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-[5-bromo-2-(4-methyl-1-piperazinyl)phenyl]-1-(2-fluoro-4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[5-bromo-2-(4-methylpiperazino)phenyl]-1-(2-fluoro-4-methoxy-phenyl)prop-2-en-1-one Formula: C21H22BrFN2O2 MolecularWeight: 433.313983

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)Br)C=CC(=O)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)Br)/C=C/C(=O)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C21H22BrFN2O2/c1-24-9-11-25(12-10-24)20-7-4-16(22)13-15(20)3-8-21(26)18-6-5-17(27-2)14-19(18)23/h3-8,13-14H,9-12H2,1-2H3/b8-3+