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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCCCOC2=CC=CC=C2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCCCOC2=CC=CC=C2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C28H39N3O/c1-25(2)28(24-29,26-12-5-3-6-13-26)16-11-18-31-21-19-30(20-22-31)17-9-10-23-32-27-14-7-4-8-15-27/h3-8,12-15,25H,9-11,16-23H2,1-2H3