4-[4-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1-piperazinyl]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazino]-1-phenyl-cyclohexanecarbonitrile Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O4/c27-20-26(21-4-2-1-3-5-21)12-10-22(11-13-26)29-16-14-28(15-17-29)18-24(31)19-34-25-8-6-23(7-9-25)30(32)33/h1-9,22,24,31H,10-19H2