3-(2-methylphenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(2-methylphenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(o-tolyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2-methylphenyl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2-methylphenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-3-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2/c1-20-7-5-6-10-24(20)27-25(18-33(31-27)23-8-3-2-4-9-23)28(35)30-17-21-11-13-22(14-12-21)32-16-15-29-26(34)19-32/h2-14,18H,15-17,19H2,1H3,(H,29,34)(H,30,35)