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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-yl)-4-quinolinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-yl)cinchoninamide Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C29H30N2O3/c1-17(29-13-18-8-19(14-29)10-20(9-18)15-29)30-28(32)23-12-25(31-24-5-3-2-4-22(23)24)21-6-7-26-27(11-21)34-16-33-26/h2-7,11-12,17-20H,8-10,13-16H2,1H3,(H,30,32)