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

Systemtic Name: 5-[4-[2-(3-ethanoylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(3-acetylphenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(3-acetylphenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(3-acetylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(3-acetylphenoxy)ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C(=O)C)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C(=O)C)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C28H37N3O2/c1-23(2)28(22-29,26-10-5-4-6-11-26)13-8-14-30-15-17-31(18-16-30)19-20-33-27-12-7-9-25(21-27)24(3)32/h4-7,9-12,21,23H,8,13-20H2,1-3H3