methyl 3-[2-[3-[(6-oxidanylidene-1-propyl-pyridazin-3-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(6-oxidanylidene-1-propyl-pyridazin-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(6-oxo-1-propyl-pyridazine-3-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo-(6-oxo-1-propyl-3-pyridazinyl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(6-keto-1-propyl-pyridazine-3-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C24H21N3O4/c1-3-14-27-22(28)13-12-21(26-27)23(29)25-20-9-5-7-18(16-20)11-10-17-6-4-8-19(15-17)24(30)31-2/h4-9,12-13,15-16H,3,14H2,1-2H3,(H,25,29)