tert-butyl 4-[4-bromanyl-2-(quinolin-2-ylcarbonylamino)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-bromanyl-2-(quinolin-2-ylcarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-bromo-2-(quinoline-2-carbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-bromo-2-[[oxo(2-quinolinyl)methyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-bromo-2-(quinoline-2-carbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-bromo-2-(quinaldoylamino)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H27BrN4O3 MolecularWeight: 511.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27BrN4O3/c1-25(2,3)33-24(32)30-14-12-29(13-15-30)22-11-9-18(26)16-21(22)28-23(31)20-10-8-17-6-4-5-7-19(17)27-20/h4-11,16H,12-15H2,1-3H3,(H,28,31)