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

Systemtic Name: 5-ethyl-1-(4-fluorophenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 5-ethyl-1-(4-fluorophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 5-ethyl-1-(4-fluorophenyl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-ethyl-1-(4-fluorophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 5-ethyl-1-(4-fluorophenyl)-N-[4-(3-ketopiperazino)benzyl]pyrazole-4-carboxamide Formula: C23H24FN5O2 MolecularWeight: 421.467363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C23H24FN5O2/c1-2-21-20(14-27-29(21)19-9-5-17(24)6-10-19)23(31)26-13-16-3-7-18(8-4-16)28-12-11-25-22(30)15-28/h3-10,14H,2,11-13,15H2,1H3,(H,25,30)(H,26,31)