N-[4-(4-bromanylphenoxy)phenyl]-4,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: N-[4-(4-bromanylphenoxy)phenyl]-4,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: N-[4-(4-bromophenoxy)phenyl]-4,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: N-[4-(4-bromophenoxy)phenyl]-4,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: N-[4-(4-bromophenoxy)phenyl]-4,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: N-[4-(4-bromophenoxy)phenyl]-3,4-bis(4-fluorophenyl)-2-pyrazoline-1-carboxamide Formula: C28H20BrF2N3O2 MolecularWeight: 548.378106

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1C(C(=NN1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H20BrF2N3O2/c29-20-5-13-24(14-6-20)36-25-15-11-23(12-16-25)32-28(35)34-17-26(18-1-7-21(30)8-2-18)27(33-34)19-3-9-22(31)10-4-19/h1-16,26H,17H2,(H,32,35)