5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazino]benzonitrile Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H18N6O3/c21-13-16-12-17(26(27)28)6-7-18(16)25-10-8-24(9-11-25)14-19-22-20(23-29-19)15-4-2-1-3-5-15/h1-7,12H,8-11,14H2