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

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(3-ketopiperazino)benzyl]pyrazole-4-carboxamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c28-21-16-26(11-10-23-21)20-8-6-17(7-9-20)12-24-22(29)19-13-25-27(15-19)14-18-4-2-1-3-5-18/h1-9,13,15H,10-12,14,16H2,(H,23,28)(H,24,29)