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

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-[2-methyl-5-(1-oxopropylamino)phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-5-methyl-N-(2-methyl-5-propionamido-phenyl)pyrazole-4-carboxamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN4O2/c1-4-20(27)24-16-8-5-13(2)19(11-16)25-21(28)18-12-23-26(14(18)3)17-9-6-15(22)7-10-17/h5-12H,4H2,1-3H3,(H,24,27)(H,25,28)