6-bromanyl-2-(4-butylphenyl)-N-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)-N-propan-2-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-isopropyl-quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-propan-2-yl-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-propan-2-ylquinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-isopropyl-cinchoninamide Formula: C23H25BrN2O MolecularWeight: 425.3614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O/c1-4-5-6-16-7-9-17(10-8-16)22-14-20(23(27)25-15(2)3)19-13-18(24)11-12-21(19)26-22/h7-15H,4-6H2,1-3H3,(H,25,27)