methyl 4-[[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20BrN3O3/c1-14-19(12-23-25(14)18-10-8-17(22)9-11-18)20(26)24(2)13-15-4-6-16(7-5-15)21(27)28-3/h4-12H,13H2,1-3H3