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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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