N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)cinchoninamide Formula: C28H28Cl2N2O MolecularWeight: 479.44072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C28H28Cl2N2O/c1-16(28-13-17-8-18(14-28)10-19(9-17)15-28)31-27(33)23-12-26(22-7-6-20(29)11-24(22)30)32-25-5-3-2-4-21(23)25/h2-7,11-12,16-19H,8-10,13-15H2,1H3,(H,31,33)/t16-,17?,18?,19?,28?/m0/s1