6-bromanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-propoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-propoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-propoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-(4-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-propoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-propoxyphenyl)cinchoninamide Formula: C27H29BrN4O2 MolecularWeight: 521.44876

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCCN4C(=CC(=N4)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCCN4C(=CC(=N4)C)C

InChI

InChI=1S/C27H29BrN4O2/c1-4-14-34-22-9-6-20(7-10-22)26-17-24(23-16-21(28)8-11-25(23)30-26)27(33)29-12-5-13-32-19(3)15-18(2)31-32/h6-11,15-17H,4-5,12-14H2,1-3H3,(H,29,33)