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

Systemtic Name: 3-chloranyl-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-chloro-4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-chloro-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-chloro-4-[[4-(4-nitrophenyl)piperazino]methyl]benzonitrile Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2/c19-18-11-14(12-20)1-2-15(18)13-21-7-9-22(10-8-21)16-3-5-17(6-4-16)23(24)25/h1-6,11H,7-10,13H2