ethyl 1-[3-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(6-oxo-3-phenyl-pyridazin-1-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(6-oxo-3-phenyl-1-pyridazinyl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(6-oxo-3-phenylpyridazin-1-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(6-keto-3-phenyl-pyridazin-1-yl)propanoyl]nipecotic acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-2-28-21(27)17-9-6-13-23(15-17)19(25)12-14-24-20(26)11-10-18(22-24)16-7-4-3-5-8-16/h3-5,7-8,10-11,17H,2,6,9,12-15H2,1H3