4-[4-(2-chloranyl-4-fluoranyl-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-chloranyl-4-fluoranyl-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2-chloro-4-fluoro-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-[(2-chloro-4-fluorophenyl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-chloro-4-fluoro-benzoyl)piperazino]benzonitrile Formula: C18H15ClFN3O MolecularWeight: 343.782603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H15ClFN3O/c19-17-11-14(20)3-6-16(17)18(24)23-9-7-22(8-10-23)15-4-1-13(12-21)2-5-15/h1-6,11H,7-10H2