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

Systemtic Name: 1-(3-chlorophenyl)-5-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-5-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-5-methyl-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-5-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-N-[4-(isobutyrylamino)phenyl]-5-methyl-pyrazole-4-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/c1-13(2)20(27)24-16-7-9-17(10-8-16)25-21(28)19-12-23-26(14(19)3)18-6-4-5-15(22)11-18/h4-13H,1-3H3,(H,24,27)(H,25,28)