(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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