4-oxidanylidene-3-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]phthalazine-1-carboxamide Openeye Name: 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-keto-phthalazine-1-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)O)C

InChI

InChI=1S/C21H23N3O4/c1-12-8-9-13(2)19(14(12)3)28-11-15(25)10-24-21(27)17-7-5-4-6-16(17)18(23-24)20(22)26/h4-9,15,25H,10-11H2,1-3H3,(H2,22,26)