4-bromanyl-5-[[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-5-[[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-5-[[4-[(E)-3-(4-fluorophenyl)allyl]-1-piperidyl]methyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-5-[[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-piperidinyl]methyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-5-[[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-1-yl]methyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-bromo-5-[[4-[(E)-3-(4-fluorophenyl)allyl]piperidino]methyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C25H27BrFN3O MolecularWeight: 484.403783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CC=CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)C/C=C/C4=CC=C(C=C4)F

InChI

InChI=1S/C25H27BrFN3O/c1-28-23(24(26)25(31)30(28)22-8-3-2-4-9-22)18-29-16-14-20(15-17-29)7-5-6-19-10-12-21(27)13-11-19/h2-6,8-13,20H,7,14-18H2,1H3/b6-5+