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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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