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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-ethyl-1-(4-fluorophenyl)-N-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-5-ethyl-1-(4-fluorophenyl)-N-methyl-pyrazole-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-ethyl-1-(4-fluorophenyl)-N-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-5-ethyl-1-(4-fluorophenyl)-N-methyl-pyrazole-4-carboxamide Formula: C22H22BrFN4O2 MolecularWeight: 473.338083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N(C)CC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N(C)CC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C22H22BrFN4O2/c1-4-20-18(12-25-28(20)17-8-6-16(24)7-9-17)22(30)27(3)13-21(29)26-19-10-5-15(23)11-14(19)2/h5-12H,4,13H2,1-3H3,(H,26,29)