ethyl (3S)-1-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl]nipecotic acid ethyl ester Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=O)C(=C(C(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=O)C(=C(C(=N2)C)C)C#N

InChI

InChI=1S/C16H22N4O3/c1-4-23-16(22)13-6-5-7-19(9-13)10-20-15(21)14(8-17)11(2)12(3)18-20/h13H,4-7,9-10H2,1-3H3/t13-/m0/s1