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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(3-chlorophenyl)-5-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxamide Formula: C21H20BrClN4O2 MolecularWeight: 475.7661

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrClN4O2/c1-3-19-17(11-25-27(19)16-6-4-5-15(23)10-16)21(29)24-12-20(28)26-18-8-7-14(22)9-13(18)2/h4-11H,3,12H2,1-2H3,(H,24,29)(H,26,28)