[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN5O3/c21-15-3-1-14(2-4-15)19-18(13-22-23-19)20(27)25-11-9-24(10-12-25)16-5-7-17(8-6-16)26(28)29/h1-8,13H,9-12H2,(H,22,23)