ethyl 1-[2-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[6-oxo-3-(p-tolyl)pyridazin-1-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[6-keto-3-(p-tolyl)pyridazin-1-yl]acetyl]nipecotic acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O4/c1-3-28-21(27)17-5-4-12-23(13-17)20(26)14-24-19(25)11-10-18(22-24)16-8-6-15(2)7-9-16/h6-11,17H,3-5,12-14H2,1-2H3