N-(5-chloranyl-2-cyano-phenyl)-4-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-4-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-4-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(5-chloro-2-cyanophenyl)-4-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-4-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]butyramide Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C22H19ClN4O3/c1-30-18-8-5-15(6-9-18)19-10-11-22(29)27(26-19)12-2-3-21(28)25-20-13-17(23)7-4-16(20)14-24/h4-11,13H,2-3,12H2,1H3,(H,25,28)