6-bromanyl-2-(4-chloranyl-3-methyl-phenyl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-chloranyl-3-methyl-phenyl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-chloro-3-methyl-phenyl)-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-chloro-3-methylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-chloro-3-methylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-chloro-3-methyl-phenyl)-N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]cinchoninamide Formula: C28H23BrClN3O2 MolecularWeight: 548.85812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC(CC4=CNC5=CC=CC=C54)CO)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)CO)Cl

InChI

InChI=1S/C28H23BrClN3O2/c1-16-10-17(6-8-24(16)30)27-13-23(22-12-19(29)7-9-26(22)33-27)28(35)32-20(15-34)11-18-14-31-25-5-3-2-4-21(18)25/h2-10,12-14,20,31,34H,11,15H2,1H3,(H,32,35)/t20-/m1/s1