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

Systemtic Name: 5-ethyl-1-(4-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide Openeye Name: 5-ethyl-1-(4-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide CAS Name: 5-ethyl-1-(4-fluorophenyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-ethyl-1-(4-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 5-ethyl-1-(4-fluorophenyl)-N-[4-(isovalerylamino)phenyl]pyrazole-4-carboxamide Formula: C23H25FN4O2 MolecularWeight: 408.468603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O2/c1-4-21-20(14-25-28(21)19-11-5-16(24)6-12-19)23(30)27-18-9-7-17(8-10-18)26-22(29)13-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,26,29)(H,27,30)