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

Systemtic Name: ethyl 1-[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonyl]-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: 1-(6-keto-4,5-dihydro-1H-pyridazine-3-carbonyl)-3-(3-phenylpropyl)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)C2=NNC(=O)CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=O)CC2)CCCC3=CC=CC=C3

InChI

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