tert-butyl 4-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(5-chloro-2-thiophenyl)-4-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H24ClN3O3S/c1-23(2,3)30-22(29)27-12-10-26(11-13-27)21(28)16-14-18(19-8-9-20(24)31-19)25-17-7-5-4-6-15(16)17/h4-9,14H,10-13H2,1-3H3