N-(4-bromanyl-2-methyl-phenyl)-2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethyl-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(4-methoxyphenyl)-3,6,8-trimethyl-cinchoninamide Formula: C27H25BrN2O2 MolecularWeight: 489.4036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OC)C)C(=O)NC4=C(C=C(C=C4)Br)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OC)C)C(=O)NC4=C(C=C(C=C4)Br)C)C

InChI

InChI=1S/C27H25BrN2O2/c1-15-12-17(3)25-22(13-15)24(27(31)29-23-11-8-20(28)14-16(23)2)18(4)26(30-25)19-6-9-21(32-5)10-7-19/h6-14H,1-5H3,(H,29,31)