tert-butyl (2R)-2-[2-[3-bromanyl-7-chloranyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[2-[3-bromanyl-7-chloranyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyethyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[2-[[3-bromo-7-chloro-6-(1-methylpyrazol-4-yl)-4-quinolyl]oxy]ethyl]piperidine-1-carboxylate CAS Name: (2R)-2-[2-[[3-bromo-7-chloro-6-(1-methyl-4-pyrazolyl)-4-quinolinyl]oxy]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[2-[3-bromo-7-chloro-6-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyethyl]piperidine-1-carboxylate Traditional Name: (2R)-2-[2-[[3-bromo-7-chloro-6-(1-methylpyrazol-4-yl)-4-quinolyl]oxy]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30BrClN4O3 MolecularWeight: 549.8877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1CCOC2=C(C=NC3=CC(=C(C=C32)C4=CN(N=C4)C)Cl)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOC2=C(C=NC3=CC(=C(C=C32)C4=CN(N=C4)C)Cl)Br

InChI

InChI=1S/C25H30BrClN4O3/c1-25(2,3)34-24(32)31-9-6-5-7-17(31)8-10-33-23-19-11-18(16-13-29-30(4)15-16)21(27)12-22(19)28-14-20(23)26/h11-15,17H,5-10H2,1-4H3/t17-/m1/s1