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

Systemtic Name: 5-[4-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC3=C(C=C2)OCO3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC3=C(C=C2)OCO3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-22(2)27(20-28,23-7-4-3-5-8-23)11-6-12-29-13-15-30(16-14-29)17-18-31-24-9-10-25-26(19-24)33-21-32-25/h3-5,7-10,19,22H,6,11-18,21H2,1-2H3