methyl 5-[[6-oxidanylidene-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-oxidanylidene-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-oxo-3-[4-(1-piperidyl)phenyl]pyridazin-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[6-oxo-3-[4-(1-piperidinyl)phenyl]-1-pyridazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[6-keto-3-(4-piperidinophenyl)pyridazin-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C22H23N3O4/c1-28-22(27)20-11-9-18(29-20)15-25-21(26)12-10-19(23-25)16-5-7-17(8-6-16)24-13-3-2-4-14-24/h5-12H,2-4,13-15H2,1H3