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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-N-(4-bromo-3-methyl-phenyl)-3,6,8-trimethyl-quinoline-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-N-(4-bromo-3-methyl-phenyl)-3,6,8-trimethyl-cinchoninamide Formula: C33H29BrN2O2 MolecularWeight: 565.49956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)NC5=CC(=C(C=C5)Br)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)NC5=CC(=C(C=C5)Br)C)C

InChI

InChI=1S/C33H29BrN2O2/c1-20-16-22(3)31-28(17-20)30(33(37)35-26-12-15-29(34)21(2)18-26)23(4)32(36-31)25-10-13-27(14-11-25)38-19-24-8-6-5-7-9-24/h5-18H,19H2,1-4H3,(H,35,37)