4-bromanyl-2-(6-morpholin-4-yl-6-oxidanylidene-hexoxy)-5-(pyridin-3-ylmethylamino)pyridazin-3-one

Systemtic Name: 4-bromanyl-2-(6-morpholin-4-yl-6-oxidanylidene-hexoxy)-5-(pyridin-3-ylmethylamino)pyridazin-3-one Openeye Name: 4-bromo-2-(6-morpholino-6-oxo-hexoxy)-5-(3-pyridylmethylamino)pyridazin-3-one CAS Name: 4-bromo-2-[6-(4-morpholinyl)-6-oxohexoxy]-5-(3-pyridinylmethylamino)-3-pyridazinone IUPAC Name: 4-bromo-2-(6-morpholin-4-yl-6-oxohexoxy)-5-(pyridin-3-ylmethylamino)pyridazin-3-one Traditional Name: 4-bromo-2-(6-keto-6-morpholino-hexoxy)-5-(3-pyridylmethylamino)pyridazin-3-one Formula: C20H26BrN5O4 MolecularWeight: 480.35554

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCCCON2C(=O)C(=C(C=N2)NCC3=CN=CC=C3)Br

Isomeric SMILES

C1COCCN1C(=O)CCCCCON2C(=O)C(=C(C=N2)NCC3=CN=CC=C3)Br

InChI

InChI=1S/C20H26BrN5O4/c21-19-17(23-14-16-5-4-7-22-13-16)15-24-26(20(19)28)30-10-3-1-2-6-18(27)25-8-11-29-12-9-25/h4-5,7,13,15,23H,1-3,6,8-12,14H2