N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(5-bromo-2-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(5-bromo-2-fluoro-benzyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C20H19BrFN3O MolecularWeight: 416.286763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H19BrFN3O/c1-13-19(14(2)25(24-13)12-15-6-4-3-5-7-15)20(26)23-11-16-10-17(21)8-9-18(16)22/h3-10H,11-12H2,1-2H3,(H,23,26)