[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4/c1-18(21-13-7-4-8-14-21)28-25(31)19(2)34-27(33)24-22-15-9-10-16-23(22)26(32)30(29-24)17-20-11-5-3-6-12-20/h3-16,18-19H,17H2,1-2H3,(H,28,31)