N-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(4-isopropylphenyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(4-propan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-p-cumenyl-N-piperonyl-cinchoninamide Formula: C27H23BrN2O3 MolecularWeight: 503.38712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23BrN2O3/c1-16(2)18-4-6-19(7-5-18)24-13-22(21-12-20(28)8-9-23(21)30-24)27(31)29-14-17-3-10-25-26(11-17)33-15-32-25/h3-13,16H,14-15H2,1-2H3,(H,29,31)