[3-[[4-chloranyl-3-(3,5-dicyanophenoxy)-2-fluoranyl-phenyl]methyl]-5-methyl-6-oxidanylidene-pyridazin-1-yl]methyl 2-azanyl-3-methyl-pentanoate

Systemtic Name: [3-[[4-chloranyl-3-(3,5-dicyanophenoxy)-2-fluoranyl-phenyl]methyl]-5-methyl-6-oxidanylidene-pyridazin-1-yl]methyl 2-azanyl-3-methyl-pentanoate Openeye Name: [3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro-phenyl]methyl]-5-methyl-6-oxo-pyridazin-1-yl]methyl 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid [3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]methyl]-5-methyl-6-oxo-1-pyridazinyl]methyl ester IUPAC Name: [3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]methyl]-5-methyl-6-oxopyridazin-1-yl]methyl 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [3-[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro-benzyl]-6-keto-5-methyl-pyridazin-1-yl]methyl ester Formula: C27H25ClFN5O4 MolecularWeight: 537.969903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCN1C(=O)C(=CC(=N1)CC2=C(C(=C(C=C2)Cl)OC3=CC(=CC(=C3)C#N)C#N)F)C)N

Isomeric SMILES

CCC(C)C(C(=O)OCN1C(=O)C(=CC(=N1)CC2=C(C(=C(C=C2)Cl)OC3=CC(=CC(=C3)C#N)C#N)F)C)N

InChI

InChI=1S/C27H25ClFN5O4/c1-4-15(2)24(32)27(36)37-14-34-26(35)16(3)7-20(33-34)11-19-5-6-22(28)25(23(19)29)38-21-9-17(12-30)8-18(10-21)13-31/h5-10,15,24H,4,11,14,32H2,1-3H3