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

Systemtic Name: (E)-1-[4-(4-ethylpiperazin-1-yl)-3-fluoranyl-phenyl]-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylpiperazin-1-yl)-3-fluoro-phenyl]-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethyl-1-piperazinyl)-3-fluorophenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazino)-3-fluoro-phenyl]-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one Formula: C22H24FN3O5 MolecularWeight: 429.441463

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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(=C3)OC)O)[N+](=O)[O-])F

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])F

InChI

InChI=1S/C22H24FN3O5/c1-3-24-8-10-25(11-9-24)18-6-5-16(14-17(18)23)20(27)7-4-15-12-19(26(29)30)22(28)21(13-15)31-2/h4-7,12-14,28H,3,8-11H2,1-2H3/b7-4+