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

Systemtic Name: 5-[4-[2-(2,3-dimethylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(2,3-dimethylphenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(2,3-dimethylphenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(2,3-dimethylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(2,3-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(=CC=C1)OCCN2CCN(CC2)CCCC(C#N)(C3=CC=CC=C3)C(C)C)C

Isomeric SMILES

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

InChI

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