4-[[4-(4-imidazol-1-yl-3-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-imidazol-1-yl-3-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-imidazol-1-yl-3-nitro-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-imidazol-1-yl-3-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-imidazol-1-yl-3-nitro-benzoyl)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=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

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