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

Systemtic Name: 6-bromanyl-N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: 6-bromo-N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: 6-bromo-N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C30H31BrN2O2 MolecularWeight: 531.48334

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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)OCC(C)C)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)OCC(C)C)C

InChI

InChI=1S/C30H31BrN2O2/c1-18(2)17-35-25-8-6-7-23(14-25)29-16-27(26-15-24(31)11-12-28(26)33-29)30(34)32-21(5)22-10-9-19(3)20(4)13-22/h6-16,18,21H,17H2,1-5H3,(H,32,34)