N-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide

Systemtic Name: N-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: N-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide CAS Name: N-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)-4-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Traditional Name: N-(1-adamantyl)-2-(1,3-benzodioxol-5-yl)cinchoninamide Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C27H26N2O3/c30-26(29-27-12-16-7-17(13-27)9-18(8-16)14-27)21-11-23(28-22-4-2-1-3-20(21)22)19-5-6-24-25(10-19)32-15-31-24/h1-6,10-11,16-18H,7-9,12-15H2,(H,29,30)