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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenyl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenyl)quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-piperonyl-cinchoninamide Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H26N2O3/c1-28(2,3)20-11-9-19(10-12-20)24-15-22(21-6-4-5-7-23(21)30-24)27(31)29-16-18-8-13-25-26(14-18)33-17-32-25/h4-15H,16-17H2,1-3H3,(H,29,31)