2-(1-adamantyl)-N-(1-oxidanylidene-3-phenyl-propan-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(1-adamantyl)-N-(1-oxidanylidene-3-phenyl-propan-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1-adamantyl)-N-(1-benzyl-2-oxo-ethyl)quinoline-4-carboxamide CAS Name: 2-(1-adamantyl)-N-(1-oxo-3-phenylpropan-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(1-adamantyl)-N-(1-oxo-3-phenylpropan-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1-adamantyl)-N-(1-benzyl-2-keto-ethyl)cinchoninamide Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=C4)C(=O)NC(CC6=CC=CC=C6)C=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=C4)C(=O)NC(CC6=CC=CC=C6)C=O

InChI

InChI=1S/C29H30N2O2/c32-18-23(13-19-6-2-1-3-7-19)30-28(33)25-14-27(31-26-9-5-4-8-24(25)26)29-15-20-10-21(16-29)12-22(11-20)17-29/h1-9,14,18,20-23H,10-13,15-17H2,(H,30,33)