1-[4-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-[4-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-[4-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]phenyl]cyclohexanecarbonitrile CAS Name: 1-[4-[4-[2-(4-chlorophenoxy)-1-oxoethyl]-1-piperazinyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-[4-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-[4-[4-[2-(4-chlorophenoxy)acetyl]piperazino]phenyl]cyclohexanecarbonitrile Formula: C25H28ClN3O2 MolecularWeight: 437.96172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)C2=CC=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)C2=CC=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O2/c26-21-6-10-23(11-7-21)31-18-24(30)29-16-14-28(15-17-29)22-8-4-20(5-9-22)25(19-27)12-2-1-3-13-25/h4-11H,1-3,12-18H2