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

Systemtic Name: 5-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-nitrophenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[2-(4-nitrophenoxy)ethyl]piperazino]-2-phenyl-valeronitrile Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)[N+](=O)[O-])(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)[N+](=O)[O-])(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H34N4O3/c1-22(2)26(21-27,23-7-4-3-5-8-23)13-6-14-28-15-17-29(18-16-28)19-20-33-25-11-9-24(10-12-25)30(31)32/h3-5,7-12,22H,6,13-20H2,1-2H3