4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[4-(1H-benzimidazol-2-yl)-1-piperidyl]-5-nitro-phthalonitrile CAS Name: 4-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[4-(1H-benzimidazol-2-yl)piperidino]-5-nitro-phthalonitrile Formula: C20H16N6O2 MolecularWeight: 372.38004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3N2)C4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3N2)C4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O2/c21-11-14-9-18(19(26(27)28)10-15(14)12-22)25-7-5-13(6-8-25)20-23-16-3-1-2-4-17(16)24-20/h1-4,9-10,13H,5-8H2,(H,23,24)