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

Systemtic Name: 5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[2-(4-methylphenoxy)ethyl]piperazino]-2-phenyl-valeronitrile Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O/c1-23(2)27(22-28,25-8-5-4-6-9-25)14-7-15-29-16-18-30(19-17-29)20-21-31-26-12-10-24(3)11-13-26/h4-6,8-13,23H,7,14-21H2,1-3H3