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

Systemtic Name: 4-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-nitrophenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-nitrophenyl)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)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

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