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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-2-(4-tert-butylphenyl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(4-tert-butylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-tert-butylphenyl)-N-piperonyl-cinchoninamide Formula: C28H25BrN2O3 MolecularWeight: 517.4137

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C28H25BrN2O3/c1-28(2,3)19-7-5-18(6-8-19)24-14-22(21-13-20(29)9-10-23(21)31-24)27(32)30-15-17-4-11-25-26(12-17)34-16-33-25/h4-14H,15-16H2,1-3H3,(H,30,32)