4-(2-adamantyl)-N-quinolin-3-yl-quinoline-2-carboxamide

Systemtic Name: 4-(2-adamantyl)-N-quinolin-3-yl-quinoline-2-carboxamide Openeye Name: 4-(2-adamantyl)-N-(3-quinolyl)quinoline-2-carboxamide CAS Name: 4-(2-adamantyl)-N-(3-quinolinyl)-2-quinolinecarboxamide IUPAC Name: 4-(2-adamantyl)-N-quinolin-3-ylquinoline-2-carboxamide Traditional Name: 4-(2-adamantyl)-N-(3-quinolyl)quinaldamide Formula: C29H27N3O MolecularWeight: 433.54418

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=CC(=NC5=CC=CC=C54)C(=O)NC6=CC7=CC=CC=C7N=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=CC(=NC5=CC=CC=C54)C(=O)NC6=CC7=CC=CC=C7N=C6

InChI

InChI=1S/C29H27N3O/c33-29(31-22-14-19-5-1-3-7-25(19)30-16-22)27-15-24(23-6-2-4-8-26(23)32-27)28-20-10-17-9-18(12-20)13-21(28)11-17/h1-8,14-18,20-21,28H,9-13H2,(H,31,33)