3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]phthalazine-1-carboxamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-13-5-4-6-14(11-13)28-10-9-22-17(25)12-24-20(27)16-8-3-2-7-15(16)18(23-24)19(21)26/h2-8,11H,9-10,12H2,1H3,(H2,21,26)(H,22,25)