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

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cinchoninamide Formula: C28H31BrN4O MolecularWeight: 519.47594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCCN4C(=CC(=N4)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCCN4C(=CC(=N4)C)C

InChI

InChI=1S/C28H31BrN4O/c1-4-5-7-21-8-10-22(11-9-21)27-18-25(24-17-23(29)12-13-26(24)31-27)28(34)30-14-6-15-33-20(3)16-19(2)32-33/h8-13,16-18H,4-7,14-15H2,1-3H3,(H,30,34)