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

Systemtic Name: ethyl 1-[3-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 3-benzyl-1-[3-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]nipecotic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=NNC(=O)CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=NNC(=O)CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4/c1-2-29-21(28)22(15-17-7-4-3-5-8-17)13-6-14-25(16-22)20(27)12-10-18-9-11-19(26)24-23-18/h3-5,7-8H,2,6,9-16H2,1H3,(H,24,26)