2-(1-adamantyl)-N-[6-methyl-2-(3-oxidanylpropylamino)quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[6-methyl-2-(3-oxidanylpropylamino)quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(3-hydroxypropylamino)-6-methyl-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(3-hydroxypropylamino)-6-methyl-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(3-hydroxypropylamino)-6-methylquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(3-hydroxypropylamino)-6-methyl-5-quinolyl]acetamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(C=C2)NCCCO)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(C=C2)NCCCO)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O2/c1-16-3-5-21-20(4-6-22(27-21)26-7-2-8-29)24(16)28-23(30)15-25-12-17-9-18(13-25)11-19(10-17)14-25/h3-6,17-19,29H,2,7-15H2,1H3,(H,26,27)(H,28,30)