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

Systemtic Name: 1-(3-nitrophenyl)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-(3-nitrophenyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrazole-3-carboxamide CAS Name: 1-(3-nitrophenyl)-N-[4-(3-oxo-1-piperazinyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(3-nitrophenyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrazole-3-carboxamide Traditional Name: N-[4-(3-ketopiperazino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O4/c27-19-13-24(11-9-21-19)15-6-4-14(5-7-15)22-20(28)18-8-10-25(23-18)16-2-1-3-17(12-16)26(29)30/h1-8,10,12H,9,11,13H2,(H,21,27)(H,22,28)