N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-oxo-3-(2-thienyl)pyridazin-1-yl]butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butanamide Traditional Name: N-homoveratryl-4-[6-keto-3-(2-thienyl)pyridazin-1-yl]butyramide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3)OC

InChI

InChI=1S/C22H25N3O4S/c1-28-18-9-7-16(15-19(18)29-2)11-12-23-21(26)6-3-13-25-22(27)10-8-17(24-25)20-5-4-14-30-20/h4-5,7-10,14-15H,3,6,11-13H2,1-2H3,(H,23,26)