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

Systemtic Name: 4-[3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-[4-(2-chloro-6-fluoro-benzyl)piperazino]-3-keto-propyl]benzonitrile Formula: C21H21ClFN3O MolecularWeight: 385.862343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21ClFN3O/c22-19-2-1-3-20(23)18(19)15-25-10-12-26(13-11-25)21(27)9-8-16-4-6-17(14-24)7-5-16/h1-7H,8-13,15H2