N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

InChI

InChI=1S/C22H21ClFN5O2/c1-13-21(14(2)29(27-13)17-6-3-15(24)4-7-17)22(31)26-16-5-8-19(18(23)11-16)28-10-9-25-20(30)12-28/h3-8,11H,9-10,12H2,1-2H3,(H,25,30)(H,26,31)