ethyl 1-[1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]piperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]piperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]piperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]isonipecotoyl]nipecotic acid ethyl ester Formula: C22H27BrN4O3S MolecularWeight: 507.44378

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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=C(S4)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C22H27BrN4O3S/c1-2-30-22(29)16-4-3-11-27(14-16)21(28)15-9-12-26(13-10-15)20-8-5-17(24-25-20)18-6-7-19(23)31-18/h5-8,15-16H,2-4,9-14H2,1H3