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

Systemtic Name: methyl 4-[[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18BrN3O3/c1-13-18(12-23-24(13)17-9-7-16(21)8-10-17)19(25)22-11-14-3-5-15(6-4-14)20(26)27-2/h3-10,12H,11H2,1-2H3,(H,22,25)