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

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-nitrophenyl)piperazino]methyl]benzonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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