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

Systemtic Name: 2-(3-nitropyridin-4-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-(4-benzylpiperazin-1-yl)-2-(3-nitro-4-pyridyl)acetonitrile CAS Name: 2-(3-nitro-4-pyridinyl)-2-[4-(phenylmethyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-(4-benzylpiperazin-1-yl)-2-(3-nitropyridin-4-yl)acetonitrile Traditional Name: 2-(4-benzylpiperazino)-2-(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)C(C#N)C3=C(C=NC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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