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

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(4-methoxybenzoyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-(4-p-anisoylpiperidino)prop-2-en-1-one Formula: C22H21BrFNO3 MolecularWeight: 446.309443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C22H21BrFNO3/c1-28-19-6-2-15(3-7-19)22(27)16-10-12-25(13-11-16)21(26)9-4-17-14-18(23)5-8-20(17)24/h2-9,14,16H,10-13H2,1H3/b9-4+