N-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-methyl-cinchoninamide Formula: C29H31ClN2O MolecularWeight: 459.02224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H31ClN2O/c1-17-26(24-5-3-4-6-25(24)32-27(17)22-7-9-23(30)10-8-22)28(33)31-18(2)29-14-19-11-20(15-29)13-21(12-19)16-29/h3-10,18-21H,11-16H2,1-2H3,(H,31,33)