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

Systemtic Name: 6-[[[4-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[[4-[2-(6-methoxy-4-quinolyl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[[4-[2-(6-methoxy-4-quinolinyl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[[4-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[[4-[2-(6-methoxy-4-quinolyl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzoxazin-3-one Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCC3CCC(CC3)NCC4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCC3CCC(CC3)NCC4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C27H31N3O3/c1-32-22-9-10-24-23(15-22)20(12-13-28-24)6-2-18-3-7-21(8-4-18)29-16-19-5-11-26-25(14-19)30-27(31)17-33-26/h5,9-15,18,21,29H,2-4,6-8,16-17H2,1H3,(H,30,31)