2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-1-(6-methoxyquinolin-4-yl)ethanone

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-1-(6-methoxyquinolin-4-yl)ethanone Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-1-(6-methoxy-4-quinolyl)ethanone CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-1-(6-methoxy-4-quinolinyl)ethanone IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-1-(6-methoxyquinolin-4-yl)ethanone Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-1-(6-methoxy-4-quinolyl)ethanone Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(=O)CC3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(=O)CC3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H30N2O4/c1-31-21-7-8-24-23(16-21)22(10-11-28-24)25(30)14-18-2-5-20(6-3-18)29-17-19-4-9-26-27(15-19)33-13-12-32-26/h4,7-11,15-16,18,20,29H,2-3,5-6,12-14,17H2,1H3