[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H22ClN3O4/c1-14-12-17(25)19(22-24(14)16-8-6-15(21)7-9-16)20(27)28-13-18(26)23-10-4-2-3-5-11-23/h6-9,12H,2-5,10-11,13H2,1H3