6-bromanyl-2-(4-butylphenyl)-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-cyclopropylquinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-cyclopropyl-cinchoninamide Formula: C23H23BrN2O MolecularWeight: 423.34552

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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)NC4CC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H23BrN2O/c1-2-3-4-15-5-7-16(8-6-15)22-14-20(23(27)25-18-10-11-18)19-13-17(24)9-12-21(19)26-22/h5-9,12-14,18H,2-4,10-11H2,1H3,(H,25,27)