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

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[3-(isobutyrylamino)benzyl]-5-methyl-pyrazole-4-carboxamide Formula: C22H23BrN4O2 MolecularWeight: 455.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O2/c1-14(2)21(28)26-18-6-4-5-16(11-18)12-24-22(29)20-13-25-27(15(20)3)19-9-7-17(23)8-10-19/h4-11,13-14H,12H2,1-3H3,(H,24,29)(H,26,28)