2-methyl-4-[1-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-(4-nitrophenoxy)ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[2-(4-nitrophenoxy)ethyl]piperazino]hexyl]benzonitrile Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H34N4O3/c1-3-4-5-6-26(22-7-8-23(20-27)21(2)19-22)29-15-13-28(14-16-29)17-18-33-25-11-9-24(10-12-25)30(31)32/h7-12,19,26H,3-6,13-18H2,1-2H3