ethyl 1-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-[6-(2-thienyl)pyridazin-3-yl]isonipecotoyl]nipecotic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C22H28N4O3S/c1-2-29-22(28)17-5-3-11-26(15-17)21(27)16-9-12-25(13-10-16)20-8-7-18(23-24-20)19-6-4-14-30-19/h4,6-8,14,16-17H,2-3,5,9-13,15H2,1H3