6-[[[4-[2-(6-methoxyquinolin-4-yl)ethyl]-4-oxidanyl-cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[[[4-[2-(6-methoxyquinolin-4-yl)ethyl]-4-oxidanyl-cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[[4-hydroxy-4-[2-(6-methoxy-4-quinolyl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[[4-hydroxy-4-[2-(6-methoxy-4-quinolinyl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[[4-hydroxy-4-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[[4-hydroxy-4-[2-(6-methoxy-4-quinolyl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one Formula: C27H31N3O4 MolecularWeight: 461.55274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCC3(CCC(CC3)NCC4=CC5=C(C=C4)OCC(=O)N5)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCC3(CCC(CC3)NCC4=CC5=C(C=C4)OCC(=O)N5)O

InChI

InChI=1S/C27H31N3O4/c1-33-21-3-4-23-22(15-21)19(9-13-28-23)6-10-27(32)11-7-20(8-12-27)29-16-18-2-5-25-24(14-18)30-26(31)17-34-25/h2-5,9,13-15,20,29,32H,6-8,10-12,16-17H2,1H3,(H,30,31)