(E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-(4-m-anisoylpiperazino)prop-2-en-1-one Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)F

InChI

InChI=1S/C22H23FN2O4/c1-28-18-5-3-4-17(15-18)22(27)25-12-10-24(11-13-25)21(26)9-7-16-6-8-20(29-2)19(23)14-16/h3-9,14-15H,10-13H2,1-2H3/b9-7+