2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(4-nitrobenzyl)piperazino]isonicotinonitrile Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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