butyl 4-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=C(C(=N2)C)C)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=C(C(=N2)C)C)C#N

InChI

InChI=1S/C20H22N4O4/c1-4-5-10-28-20(27)15-6-8-16(9-7-15)22-18(25)12-24-19(26)17(11-21)13(2)14(3)23-24/h6-9H,4-5,10,12H2,1-3H3,(H,22,25)