4-[[4-[1-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazino]methyl]benzonitrile Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3/c23-15-17-4-6-18(7-5-17)16-25-10-12-26(13-11-25)22(29)21-8-9-27(24-21)19-2-1-3-20(14-19)28(30)31/h1-9,14H,10-13,16H2