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

Systemtic Name: 4-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-nitrophenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-nitrobenzyl)piperazino]methyl]benzonitrile Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O2/c20-13-16-5-7-17(8-6-16)14-21-9-11-22(12-10-21)15-18-3-1-2-4-19(18)23(24)25/h1-8H,9-12,14-15H2