[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C27H24N4O5 MolecularWeight: 484.50326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H24N4O5/c1-17-12-13-20(14-18(17)2)28-27(35)29-23(32)16-36-26(34)24-21-10-6-7-11-22(21)25(33)31(30-24)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H2,28,29,32,35)