[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H17N3O5/c26-19(23-13-16-9-6-12-29-16)14-30-22(28)20-17-10-4-5-11-18(17)21(27)25(24-20)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,23,26)