6-[[6-bromanyl-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]amino]-2-methyl-pyridazin-3-one

Systemtic Name: 6-[[6-bromanyl-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]amino]-2-methyl-pyridazin-3-one Openeye Name: 6-[[6-bromo-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]amino]-2-methyl-pyridazin-3-one CAS Name: 6-[[6-bromo-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-2-methyl-3-pyridazinone IUPAC Name: 6-[[6-bromo-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromen-4-yl]amino]-2-methylpyridazin-3-one Traditional Name: 6-[[6-bromo-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]amino]-2-methyl-pyridazin-3-one Formula: C18H22BrN3O5 MolecularWeight: 440.28838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)NC2C(C(OC3=C2C=C(C=C3)Br)(COC)COC)O

Isomeric SMILES

CN1C(=O)C=CC(=N1)NC2C(C(OC3=C2C=C(C=C3)Br)(COC)COC)O

InChI

InChI=1S/C18H22BrN3O5/c1-22-15(23)7-6-14(21-22)20-16-12-8-11(19)4-5-13(12)27-18(9-25-2,10-26-3)17(16)24/h4-8,16-17,24H,9-10H2,1-3H3,(H,20,21)