N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C21H20BrFN4O2 MolecularWeight: 459.311503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H20BrFN4O2/c1-12-10-15(22)4-9-18(12)25-19(28)11-24-21(29)20-13(2)26-27(14(20)3)17-7-5-16(23)6-8-17/h4-10H,11H2,1-3H3,(H,24,29)(H,25,28)