methyl 2-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-3-methyl-butanoate CAS Name: 2-[[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoate Traditional Name: 2-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H20BrN3O3 MolecularWeight: 394.263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C17H20BrN3O3/c1-10(2)15(17(23)24-4)20-16(22)14-9-19-21(11(14)3)13-7-5-12(18)6-8-13/h5-10,15H,1-4H3,(H,20,22)