4-[4-[2-[(4-chloranylphenoxy)methyl]-3,3-dimethyl-2-oxidanyl-butyl]piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-[2-[(4-chloranylphenoxy)methyl]-3,3-dimethyl-2-oxidanyl-butyl]piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[2-[(4-chlorophenoxy)methyl]-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[4-[2-[(4-chlorophenoxy)methyl]-2-hydroxy-3,3-dimethylbutyl]-1-piperazinyl]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[2-[(4-chlorophenoxy)methyl]-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[2-[(4-chlorophenoxy)methyl]-2-hydroxy-3,3-dimethyl-butyl]piperazino]-1-phenyl-cyclohexanecarbonitrile Formula: C30H40ClN3O2 MolecularWeight: 510.1105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1CCN(CC1)C2CCC(CC2)(C#N)C3=CC=CC=C3)(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC(C)(C)C(CN1CCN(CC1)C2CCC(CC2)(C#N)C3=CC=CC=C3)(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C30H40ClN3O2/c1-28(2,3)30(35,23-36-27-11-9-25(31)10-12-27)22-33-17-19-34(20-18-33)26-13-15-29(21-32,16-14-26)24-7-5-4-6-8-24/h4-12,26,35H,13-20,22-23H2,1-3H3