ethyl 4-(oxan-2-ylmethyl)-1-[3-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(oxan-2-ylmethyl)-1-[3-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-4-(tetrahydropyran-2-ylmethyl)piperidine-4-carboxylate CAS Name: 4-(2-oxanylmethyl)-1-[1-oxo-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(oxan-2-ylmethyl)-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-4-(tetrahydropyran-2-ylmethyl)isonipecotic acid ethyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCC2=NNC(=O)CC2)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCC2=NNC(=O)CC2)CC3CCCCO3

InChI

InChI=1S/C21H33N3O5/c1-2-28-20(27)21(15-17-5-3-4-14-29-17)10-12-24(13-11-21)19(26)9-7-16-6-8-18(25)23-22-16/h17H,2-15H2,1H3,(H,23,25)