2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-chlorobenzyl)piperazino]-5-nitro-benzonitrile Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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