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

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[4-(3-ketopiperazino)benzyl]-5-methyl-pyrazole-4-carboxamide Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H22BrN5O2/c1-15-20(13-26-28(15)19-8-4-17(23)5-9-19)22(30)25-12-16-2-6-18(7-3-16)27-11-10-24-21(29)14-27/h2-9,13H,10-12,14H2,1H3,(H,24,29)(H,25,30)