4-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-2-methyl-phthalazin-1-one Openeye Name: 4-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-methyl-phthalazin-1-one CAS Name: 4-[[3-hydroxy-2,2-bis(methoxymethyl)-1-benzopyran-4-yl]amino]-2-methyl-1-phthalazinone IUPAC Name: 4-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-methylphthalazin-1-one Traditional Name: 4-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-methyl-phthalazin-1-one Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)NC3=C(C(OC4=CC=CC=C43)(COC)COC)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)NC3=C(C(OC4=CC=CC=C43)(COC)COC)O

InChI

InChI=1S/C22H23N3O5/c1-25-21(27)15-9-5-4-8-14(15)20(24-25)23-18-16-10-6-7-11-17(16)30-22(12-28-2,13-29-3)19(18)26/h4-11,26H,12-13H2,1-3H3,(H,23,24)