3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(3-pyridylmethyl)piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-(3-pyridinylmethyl)-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzonitrile Traditional Name: 3-nitro-4-[4-(3-pyridylmethyl)piperazino]benzonitrile Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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