3-[1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(o-anisylamino)ethyl]phthalazine-1-carboxylic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1OC)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H19N3O5/c1-12(18(24)21-11-13-7-3-6-10-16(13)28-2)23-19(25)15-9-5-4-8-14(15)17(22-23)20(26)27/h3-10,12H,11H2,1-2H3,(H,21,24)(H,26,27)