1-(3-chlorophenyl)-5-ethyl-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-5-ethyl-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-5-ethyl-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-5-ethyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-5-ethyl-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-5-ethyl-N-[4-(isovalerylamino)phenyl]pyrazole-4-carboxamide Formula: C23H25ClN4O2 MolecularWeight: 424.9232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C23H25ClN4O2/c1-4-21-20(14-25-28(21)19-7-5-6-16(24)13-19)23(30)27-18-10-8-17(9-11-18)26-22(29)12-15(2)3/h5-11,13-15H,4,12H2,1-3H3,(H,26,29)(H,27,30)