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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4/c1-32-25(31)19-13-11-17(12-14-19)15-26-23(29)22-20-9-5-6-10-21(20)24(30)28(27-22)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,29)