3-cyano-N-[2-[4-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-1-yl]ethyl]benzamide

Systemtic Name: 3-cyano-N-[2-[4-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-1-yl]ethyl]benzamide Openeye Name: 3-cyano-N-[2-[4-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazin-1-yl]ethyl]benzamide CAS Name: 3-cyano-N-[2-[4-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-1-piperazinyl]ethyl]benzamide IUPAC Name: 3-cyano-N-[2-[4-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]ethyl]benzamide Traditional Name: 3-cyano-N-[2-[4-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazino]ethyl]benzamide Formula: C26H29N5O3 MolecularWeight: 459.54016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCN(CC3)CCNC(=O)C4=CC=CC(=C4)C#N)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCN(CC3)CCNC(=O)C4=CC=CC(=C4)C#N)O

InChI

InChI=1S/C26H29N5O3/c1-34-21-5-6-24-23(16-21)22(7-8-28-24)25(32)18-31-13-11-30(12-14-31)10-9-29-26(33)20-4-2-3-19(15-20)17-27/h2-8,15-16,25,32H,9-14,18H2,1H3,(H,29,33)