methyl 3-[2-[(4-acetamidophenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: methyl 3-[2-[(4-acetamidophenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: methyl 3-[2-[(4-acetamidophenyl)methylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[(4-acetamidobenzyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC

InChI

InChI=1S/C21H20N4O5/c1-13(26)23-15-9-7-14(8-10-15)11-22-18(27)12-25-20(28)17-6-4-3-5-16(17)19(24-25)21(29)30-2/h3-10H,11-12H2,1-2H3,(H,22,27)(H,23,26)