N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-28-18-13-17(19(29-2)12-15(18)22)23-20(26)8-9-21(27)25-11-10-16(24-25)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)