[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [1-[(2-methoxy-3-dibenzofuranyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-ethyl] ester Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

InChI

InChI=1S/C28H25N3O6/c1-4-13-31-27(33)19-11-6-5-10-18(19)25(30-31)28(34)36-16(2)26(32)29-21-15-23-20(14-24(21)35-3)17-9-7-8-12-22(17)37-23/h5-12,14-16H,4,13H2,1-3H3,(H,29,32)