methyl 2-methyl-6-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-methyl-6-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-6-methyl-benzoate CAS Name: 2-methyl-6-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-6-methylbenzoate Traditional Name: 2-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-6-methyl-benzoic acid methyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4/c1-16-9-8-14-20(21(16)25(31)32-2)26-23(29)22-18-12-6-7-13-19(18)24(30)28(27-22)15-17-10-4-3-5-11-17/h3-14H,15H2,1-2H3,(H,26,29)