[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H21N3O5/c1-13(19(25)22-12-14-8-10-15(28-3)11-9-14)29-21(27)18-16-6-4-5-7-17(16)20(26)24(2)23-18/h4-11,13H,12H2,1-3H3,(H,22,25)