5-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(2-pyridylmethyl)piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-(2-pyridinylmethyl)-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-(2-pyridylmethyl)piperazino]benzonitrile Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H17N5O2/c18-12-14-11-16(22(23)24)4-5-17(14)21-9-7-20(8-10-21)13-15-3-1-2-6-19-15/h1-6,11H,7-10,13H2