tert-butyl 4-[6-bromanyl-2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-bromanyl-2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-bromo-2-(4-chlorophenyl)quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-bromo-2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-bromo-2-(4-chlorophenyl)quinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-bromo-2-(4-chlorophenyl)quinoline-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H25BrClN3O3 MolecularWeight: 530.8413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25BrClN3O3/c1-25(2,3)33-24(32)30-12-10-29(11-13-30)23(31)20-15-22(16-4-7-18(27)8-5-16)28-21-9-6-17(26)14-19(20)21/h4-9,14-15H,10-13H2,1-3H3