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

Systemtic Name: methyl 2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C(=O)C(=C(C(=N1)C)C)C#N

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CN1C(=O)C(=C(C(=N1)C)C)C#N

InChI

InChI=1S/C16H22N4O4/c1-6-9(2)14(16(23)24-5)18-13(21)8-20-15(22)12(7-17)10(3)11(4)19-20/h9,14H,6,8H2,1-5H3,(H,18,21)