4-[[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-(3-nitrophenyl)ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(3-nitrophenyl)ethyl]piperazino]methyl]benzonitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O2/c1-16(19-3-2-4-20(13-19)24(25)26)23-11-9-22(10-12-23)15-18-7-5-17(14-21)6-8-18/h2-8,13,16H,9-12,15H2,1H3