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

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanamide CAS Name: N-(5-chloro-2-cyanophenyl)-4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-4-[6-keto-3-(p-tolyl)pyridazin-1-yl]butyramide Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O2/c1-15-4-6-16(7-5-15)19-10-11-22(29)27(26-19)12-2-3-21(28)25-20-13-18(23)9-8-17(20)14-24/h4-11,13H,2-3,12H2,1H3,(H,25,28)