2-[4-[2-cyclohexyl-2-oxidanylidene-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[2-cyclohexyl-2-oxidanylidene-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[2-cyclohexyl-2-oxo-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[2-cyclohexyl-2-oxo-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[2-cyclohexyl-2-oxo-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[2-cyclohexyl-2-keto-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazino]-5-nitro-benzonitrile Formula: C28H33N5O3 MolecularWeight: 487.59332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(C2CCC3=CC=CC=C3N2)N4CCN(CC4)C5=C(C=C(C=C5)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)C(=O)C(C2CCC3=CC=CC=C3N2)N4CCN(CC4)C5=C(C=C(C=C5)[N+](=O)[O-])C#N

InChI

InChI=1S/C28H33N5O3/c29-19-22-18-23(33(35)36)11-13-26(22)31-14-16-32(17-15-31)27(28(34)21-7-2-1-3-8-21)25-12-10-20-6-4-5-9-24(20)30-25/h4-6,9,11,13,18,21,25,27,30H,1-3,7-8,10,12,14-17H2