4-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbonyl]benzonitrile Formula: C19H17ClFN3O MolecularWeight: 357.809183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17ClFN3O/c20-18-11-17(21)6-5-16(18)13-23-7-9-24(10-8-23)19(25)15-3-1-14(12-22)2-4-15/h1-6,11H,7-10,13H2