4-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(2-chloro-4-fluoro-benzyl)piperazino]-3-nitro-benzonitrile Formula: C18H16ClFN4O2 MolecularWeight: 374.796643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClFN4O2/c19-16-10-15(20)3-2-14(16)12-22-5-7-23(8-6-22)17-4-1-13(11-21)9-18(17)24(25)26/h1-4,9-10H,5-8,12H2