4-(4-bromanylpyrazol-1-yl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 4-(4-bromanylpyrazol-1-yl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 4-(4-bromopyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 4-(4-bromo-1-pyrazolyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 4-(4-bromopyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 4-(4-bromopyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-N-methyl-benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br

InChI

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