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

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[4-(isovalerylamino)phenyl]-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)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

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