6-bromanyl-N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)cinchoninamide Formula: C27H25BrN2O2 MolecularWeight: 489.4036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C27H25BrN2O2/c1-16-8-9-19(12-17(16)2)18(3)29-27(31)24-15-26(20-6-5-7-22(13-20)32-4)30-25-11-10-21(28)14-23(24)25/h5-15,18H,1-4H3,(H,29,31)