3-[(E)-N-oxidanyl-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-N-oxidanyl-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]benzenecarbonitrile Openeye Name: 3-[(E)-N-hydroxy-C-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]carbonimidoyl]benzonitrile CAS Name: 3-[(1E)-1-hydroxyimino-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]benzonitrile IUPAC Name: 3-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]benzonitrile Traditional Name: 3-[3-[4-(2-pyridyl)piperazino]propanehydroximoyl]benzonitrile Formula: C19H21N5O MolecularWeight: 335.40294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=NO)C2=CC=CC(=C2)C#N)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1CC/C(=N\O)/C2=CC=CC(=C2)C#N)C3=CC=CC=N3

InChI

InChI=1S/C19H21N5O/c20-15-16-4-3-5-17(14-16)18(22-25)7-9-23-10-12-24(13-11-23)19-6-1-2-8-21-19/h1-6,8,14,25H,7,9-13H2/b22-18+