3-nitro-6-[2-(phenylmethyl)piperidin-1-yl]pyridine-2-carbonitrile

Systemtic Name: 3-nitro-6-[2-(phenylmethyl)piperidin-1-yl]pyridine-2-carbonitrile Openeye Name: 6-(2-benzyl-1-piperidyl)-3-nitro-pyridine-2-carbonitrile CAS Name: 3-nitro-6-[2-(phenylmethyl)-1-piperidinyl]-2-pyridinecarbonitrile IUPAC Name: 6-(2-benzylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile Traditional Name: 6-(2-benzylpiperidino)-3-nitro-picolinonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=CC=CC=C2)C3=NC(=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(C(C1)CC2=CC=CC=C2)C3=NC(=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H18N4O2/c19-13-16-17(22(23)24)9-10-18(20-16)21-11-5-4-8-15(21)12-14-6-2-1-3-7-14/h1-3,6-7,9-10,15H,4-5,8,11-12H2