2-[3-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyridin-4-yl]ethanenitrile

Systemtic Name: 2-[3-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyridin-4-yl]ethanenitrile Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-3-nitro-4-pyridyl]acetonitrile CAS Name: 2-[3-nitro-2-[4-(phenylmethyl)-1-piperazinyl]-4-pyridinyl]acetonitrile IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-3-nitropyridin-4-yl]acetonitrile Traditional Name: 2-[2-(4-benzylpiperazino)-3-nitro-4-pyridyl]acetonitrile Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2/c19-8-6-16-7-9-20-18(17(16)23(24)25)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-5,7,9H,6,10-14H2