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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[6-keto-3-(p-tolyl)pyridazin-1-yl]butyramide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C22H22ClN3O3/c1-15-5-7-16(8-6-15)18-10-12-22(28)26(25-18)13-3-4-21(27)24-19-14-17(23)9-11-20(19)29-2/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)