3-(4-bromophenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-[3-(isobutyrylamino)benzyl]-1H-pyrazole-5-carboxamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O2/c1-13(2)20(27)24-17-5-3-4-14(10-17)12-23-21(28)19-11-18(25-26-19)15-6-8-16(22)9-7-15/h3-11,13H,12H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)