3-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-chloro-6-fluoro-benzyl)piperazino]methyl]benzonitrile Formula: C19H19ClFN3 MolecularWeight: 343.825663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H19ClFN3/c20-18-5-2-6-19(21)17(18)14-24-9-7-23(8-10-24)13-16-4-1-3-15(11-16)12-22/h1-6,11H,7-10,13-14H2