[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H17N3O4/c1-13(20(26)23-18-12-6-8-14-7-2-3-9-15(14)18)29-22(28)19-16-10-4-5-11-17(16)21(27)25-24-19/h2-13H,1H3,(H,23,26)(H,25,27)