tert-butyl 4-[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-bromo-2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H28BrN3O3 MolecularWeight: 510.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H28BrN3O3/c1-17-6-5-7-18(14-17)23-16-21(20-15-19(27)8-9-22(20)28-23)24(31)29-10-12-30(13-11-29)25(32)33-26(2,3)4/h5-9,14-16H,10-13H2,1-4H3