4-[[4-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(6-oxo-1H-pyridin-3-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(6-keto-1H-pyridine-3-carbonyl)piperazino]methyl]benzonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CNC(=O)C=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CNC(=O)C=C3

InChI

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