methyl 4-[[(1-butyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-butyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(1-butyl-6-oxo-pyridazine-3-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(1-butyl-6-oxo-3-pyridazinyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-butyl-6-oxopyridazine-3-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(1-butyl-6-keto-pyridazine-3-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H21N3O4/c1-3-4-11-21-16(22)10-9-15(20-21)17(23)19-12-13-5-7-14(8-6-13)18(24)25-2/h5-10H,3-4,11-12H2,1-2H3,(H,19,23)