N-(1-adamantyl)-2-(3-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1-adamantyl)-2-(3-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(1-adamantyl)-2-(m-tolyl)quinoline-4-carboxamide CAS Name: N-(1-adamantyl)-2-(3-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-2-(3-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(1-adamantyl)-2-(m-tolyl)cinchoninamide Formula: C27H28N2O MolecularWeight: 396.52402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N2O/c1-17-5-4-6-21(9-17)25-13-23(22-7-2-3-8-24(22)28-25)26(30)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h2-9,13,18-20H,10-12,14-16H2,1H3,(H,29,30)