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

Systemtic Name: ethyl 1-[2-[3-(4-chlorophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-(4-chlorophenyl)-6-oxo-pyridazin-1-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[3-(4-chlorophenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[3-(4-chlorophenyl)-6-keto-pyridazin-1-yl]acetyl]nipecotic acid ethyl ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4/c1-2-28-20(27)15-4-3-11-23(12-15)19(26)13-24-18(25)10-9-17(22-24)14-5-7-16(21)8-6-14/h5-10,15H,2-4,11-13H2,1H3