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

Systemtic Name: ethyl 4-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[6-(2-thienyl)pyridazin-3-yl]isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C21H27N5O3S/c1-2-29-21(28)26-13-11-25(12-14-26)20(27)16-7-9-24(10-8-16)19-6-5-17(22-23-19)18-4-3-15-30-18/h3-6,15-16H,2,7-14H2,1H3