6-bromanyl-8-methyl-2-(4-methylphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-8-methyl-2-(4-methylphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide Openeye Name: 6-bromo-8-methyl-N-[(1S)-1-phenylethyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-8-methyl-2-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-8-methyl-2-(4-methylphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide Traditional Name: 6-bromo-8-methyl-N-[(1S)-1-phenylethyl]-2-(p-tolyl)cinchoninamide Formula: C26H23BrN2O MolecularWeight: 459.37762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC(C)C4=CC=CC=C4)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)N[C@@H](C)C4=CC=CC=C4)Br)C

InChI

InChI=1S/C26H23BrN2O/c1-16-9-11-20(12-10-16)24-15-23(22-14-21(27)13-17(2)25(22)29-24)26(30)28-18(3)19-7-5-4-6-8-19/h4-15,18H,1-3H3,(H,28,30)/t18-/m0/s1