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

Systemtic Name: 5-chloranyl-1-(4-fluorophenyl)-3-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1-(4-fluorophenyl)-N-[4-(isobutyrylamino)phenyl]-3-methyl-pyrazole-4-carboxamide Formula: C21H20ClFN4O2 MolecularWeight: 414.860503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)NC(=O)C(C)C)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)NC(=O)C(C)C)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20ClFN4O2/c1-12(2)20(28)24-15-6-8-16(9-7-15)25-21(29)18-13(3)26-27(19(18)22)17-10-4-14(23)5-11-17/h4-12H,1-3H3,(H,24,28)(H,25,29)