N-[(E)-1-(1-adamantyl)ethylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide CAS Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-2-(4-chlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-2-(4-chlorophenyl)cinchoninamide Formula: C28H28ClN3O MolecularWeight: 457.99442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl)/C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H28ClN3O/c1-17(28-14-18-10-19(15-28)12-20(11-18)16-28)31-32-27(33)24-13-26(21-6-8-22(29)9-7-21)30-25-5-3-2-4-23(24)25/h2-9,13,18-20H,10-12,14-16H2,1H3,(H,32,33)/b31-17+