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

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-1-phenyl-pyrazole-3-carboxamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=NN(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=NN(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c27-20-15-25(13-11-22-20)17-8-6-16(7-9-17)14-23-21(28)19-10-12-26(24-19)18-4-2-1-3-5-18/h1-10,12H,11,13-15H2,(H,22,27)(H,23,28)