2-(1-adamantyl)-N-[2-(3-azanylpropylamino)quinolin-5-yl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(1-adamantyl)-N-[2-(3-azanylpropylamino)quinolin-5-yl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(1-adamantyl)-N-[2-(3-aminopropylamino)-5-quinolyl]acetamide; 2,2,2-trifluoroacetic acid CAS Name: 2-(1-adamantyl)-N-[2-(3-aminopropylamino)-5-quinolinyl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(1-adamantyl)-N-[2-(3-aminopropylamino)quinolin-5-yl]acetamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-(1-adamantyl)-N-[2-(3-aminopropylamino)-5-quinolyl]acetamide; 2,2,2-trifluoroacetic acid Formula: C26H33F3N4O3 MolecularWeight: 506.56043

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCCN.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCCN.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H32N4O.C2HF3O2/c25-7-2-8-26-22-6-5-19-20(27-22)3-1-4-21(19)28-23(29)15-24-12-16-9-17(13-24)11-18(10-16)14-24;3-2(4,5)1(6)7/h1,3-6,16-18H,2,7-15,25H2,(H,26,27)(H,28,29);(H,6,7)