3-(4-bromophenyl)-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-methyl-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-N-methyl-1H-pyrazole-5-carboxamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN4O2/c1-13-5-4-6-17(14(13)2)23-20(27)12-26(3)21(28)19-11-18(24-25-19)15-7-9-16(22)10-8-15/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25)