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

Systemtic Name: ethyl 1-[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(6-keto-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=NNC(=O)CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=NNC(=O)CC2)CCCC3=CC=CC=C3

InChI

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