2-[4-[2-[(4-chlorophenyl)methoxy]phenyl]carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[2-[(4-chlorophenyl)methoxy]phenyl]carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[2-(4-chlorobenzyl)oxybenzoyl]piperazino]-6-fluoro-benzonitrile Formula: C25H21ClFN3O2 MolecularWeight: 449.904543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClFN3O2/c26-19-10-8-18(9-11-19)17-32-24-7-2-1-4-20(24)25(31)30-14-12-29(13-15-30)23-6-3-5-22(27)21(23)16-28/h1-11H,12-15,17H2