N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-tert-butyl-5-cyclopropyl-N-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-tert-butyl-5-cyclopropyl-N-methyl-pyrazole-3-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-2-tert-butyl-5-cyclopropyl-N-methyl-pyrazole-3-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-tert-butyl-5-cyclopropyl-N-methyl-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-tert-butyl-5-cyclopropyl-N-methylpyrazole-3-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-2-tert-butyl-5-cyclopropyl-N-methyl-pyrazole-3-carboxamide Formula: C21H27BrN4O2 MolecularWeight: 447.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=NN2C(C)(C)C)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=NN2C(C)(C)C)C3CC3

InChI

InChI=1S/C21H27BrN4O2/c1-13-10-15(22)8-9-16(13)23-19(27)12-25(5)20(28)18-11-17(14-6-7-14)24-26(18)21(2,3)4/h8-11,14H,6-7,12H2,1-5H3,(H,23,27)