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

Systemtic Name: 2-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(4-nitrophenyl)piperazino]methyl]phenyl]benzonitrile Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O2/c25-17-21-3-1-2-4-24(21)20-7-5-19(6-8-20)18-26-13-15-27(16-14-26)22-9-11-23(12-10-22)28(29)30/h1-12H,13-16,18H2