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

Systemtic Name: (E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-1-[4-(4-ethylpiperazin-1-yl)-3-fluoranyl-phenyl]prop-2-en-1-one Openeye Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-1-[4-(4-ethylpiperazin-1-yl)-3-fluoro-phenyl]prop-2-en-1-one CAS Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-1-[4-(4-ethyl-1-piperazinyl)-3-fluorophenyl]-2-propen-1-one IUPAC Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]prop-2-en-1-one Traditional Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-1-[4-(4-ethylpiperazino)-3-fluoro-phenyl]prop-2-en-1-one Formula: C22H24BrFN2O3 MolecularWeight: 463.339963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3Br)OC)O)F

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3Br)OC)O)F

InChI

InChI=1S/C22H24BrFN2O3/c1-3-25-8-10-26(11-9-25)19-6-4-16(12-18(19)24)20(27)7-5-15-13-21(28)22(29-2)14-17(15)23/h4-7,12-14,28H,3,8-11H2,1-2H3/b7-5+