5-[4-[2-(3,4-dimethylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(3,4-dimethylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(3,4-dimethylphenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(3,4-dimethylphenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(3,4-dimethylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(3,4-dimethylphenoxy)ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCN2CCN(CC2)CCCC(C#N)(C3=CC=CC=C3)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCN2CCN(CC2)CCCC(C#N)(C3=CC=CC=C3)C(C)C)C

InChI

InChI=1S/C28H39N3O/c1-23(2)28(22-29,26-9-6-5-7-10-26)13-8-14-30-15-17-31(18-16-30)19-20-32-27-12-11-24(3)25(4)21-27/h5-7,9-12,21,23H,8,13-20H2,1-4H3