2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(3-chlorophenyl)piperazino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O2/c22-18-2-1-3-19(14-18)25-12-10-24(11-13-25)15-20(26)16-27-21-6-4-17(5-7-21)8-9-23/h1-7,14,20,26H,8,10-13,15-16H2