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

Systemtic Name: 4-[3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[4-(2-chloro-4-fluoro-benzyl)piperazino]-2-hydroxy-propoxy]benzonitrile Formula: C21H23ClFN3O2 MolecularWeight: 403.877623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)CC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H23ClFN3O2/c22-21-11-18(23)4-3-17(21)13-25-7-9-26(10-8-25)14-19(27)15-28-20-5-1-16(12-24)2-6-20/h1-6,11,19,27H,7-10,13-15H2