2-(2-morpholin-4-ylethylamino)-5-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenecarbonitrile

Systemtic Name: 2-(2-morpholin-4-ylethylamino)-5-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenecarbonitrile Openeye Name: 5-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]-2-(2-morpholinoethylamino)benzonitrile CAS Name: 5-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]-2-[2-(4-morpholinyl)ethylamino]benzonitrile IUPAC Name: 5-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-2-(2-morpholin-4-ylethylamino)benzonitrile Traditional Name: 5-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]-2-(2-morpholinoethylamino)benzonitrile Formula: C29H34N4O3 MolecularWeight: 486.60526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)NCCN4CCOCC4)C#N

Isomeric SMILES

CC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)NCCN4CCOCC4)C#N

InChI

InChI=1S/C29H34N4O3/c1-22(29(34)11-4-23-3-2-12-31-21-23)36-27-8-5-24(6-9-27)25-7-10-28(26(19-25)20-30)32-13-14-33-15-17-35-18-16-33/h2-3,5-10,12,19,21-22,29,32,34H,4,11,13-18H2,1H3