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

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C21H19ClFN5O2 MolecularWeight: 427.859263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFN5O2/c1-13-17(11-25-28(13)16-5-2-14(23)3-6-16)21(30)26-15-4-7-19(18(22)10-15)27-9-8-24-20(29)12-27/h2-7,10-11H,8-9,12H2,1H3,(H,24,29)(H,26,30)