2-[4-[2-cyclohexyl-2-oxidanylidene-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-cyclohexyl-2-oxidanylidene-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-cyclohexyl-2-oxo-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-cyclohexyl-2-oxo-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-cyclohexyl-2-oxo-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-cyclohexyl-2-keto-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazino]nicotinonitrile Formula: C27H33N5O MolecularWeight: 443.58382

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=CC=N5)C#N

Isomeric SMILES

C1CCC(CC1)C(=O)C(C2CCC3=CC=CC=C3N2)N4CCN(CC4)C5=C(C=CC=N5)C#N

InChI

InChI=1S/C27H33N5O/c28-19-22-10-6-14-29-27(22)32-17-15-31(16-18-32)25(26(33)21-8-2-1-3-9-21)24-13-12-20-7-4-5-11-23(20)30-24/h4-7,10-11,14,21,24-25,30H,1-3,8-9,12-13,15-18H2