N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H26N2O3/c1-18(2)13-19-7-10-21(11-8-19)25-15-23(22-5-3-4-6-24(22)30-25)28(31)29-16-20-9-12-26-27(14-20)33-17-32-26/h3-12,14-15,18H,13,16-17H2,1-2H3,(H,29,31)