[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-[1-(benzofuran-2-yl)ethylamino]-2-oxo-ethyl] 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-[1-(2-benzofuranyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-[1-(benzofuran-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H23N3O5/c1-3-4-11-24-20(26)10-9-16(23-24)21(27)28-13-19(25)22-14(2)18-12-15-7-5-6-8-17(15)29-18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,25)