3-[2-[1-(2-methoxy-5-methyl-phenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[1-(2-methoxy-5-methyl-phenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[1-(2-methoxy-5-methyl-phenyl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[1-(2-methoxy-5-methyl-phenyl)ethylamino]ethyl]phthalazine-1-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-12-8-9-17(29-3)16(10-12)13(2)23-18(26)11-25-21(28)15-7-5-4-6-14(15)19(24-25)20(22)27/h4-10,13H,11H2,1-3H3,(H2,22,27)(H,23,26)