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

Systemtic Name: methyl 4-chloranyl-3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-4-chloro-benzoate CAS Name: 4-chloro-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-chlorobenzoate Traditional Name: 3-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-4-chloro-benzoic acid methyl ester Formula: C24H18ClN3O4 MolecularWeight: 447.87042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN3O4/c1-32-24(31)16-11-12-19(25)20(13-16)26-22(29)21-17-9-5-6-10-18(17)23(30)28(27-21)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,29)