(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(4-pyridylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(4-pyridylmethyl)piperazino]prop-2-en-1-one Formula: C19H19BrFN3O MolecularWeight: 404.276063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C19H19BrFN3O/c20-17-2-3-18(21)16(13-17)1-4-19(25)24-11-9-23(10-12-24)14-15-5-7-22-8-6-15/h1-8,13H,9-12,14H2/b4-1+