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

Systemtic Name: N-[4-(4-bromanylphenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide Openeye Name: N-[4-(4-bromophenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide CAS Name: N-[4-(4-bromophenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide IUPAC Name: N-[4-(4-bromophenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide Traditional Name: N-[4-(4-bromophenoxy)phenyl]-3-(4-chlorophenyl)-4-phenyl-2-pyrazoline-1-carboxamide Formula: C28H21BrClN3O2 MolecularWeight: 546.84224

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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)Cl)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H21BrClN3O2/c29-21-8-14-24(15-9-21)35-25-16-12-23(13-17-25)31-28(34)33-18-26(19-4-2-1-3-5-19)27(32-33)20-6-10-22(30)11-7-20/h1-17,26H,18H2,(H,31,34)