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

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(5-chloro-2-cyanophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-4-[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]butyramide Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O4/c1-31-20-9-6-15(12-21(20)32-2)18-8-10-23(30)28(27-18)11-3-4-22(29)26-19-13-17(24)7-5-16(19)14-25/h5-10,12-13H,3-4,11H2,1-2H3,(H,26,29)