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

Systemtic Name: N-[3-chloranyl-4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-chloro-4-[diethylamino(oxo)methyl]phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C22H22ClFN4O2 MolecularWeight: 428.887083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C)Cl

InChI

InChI=1S/C22H22ClFN4O2/c1-4-27(5-2)22(30)18-11-8-16(12-20(18)23)26-21(29)19-13-25-28(14(19)3)17-9-6-15(24)7-10-17/h6-13H,4-5H2,1-3H3,(H,26,29)