2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)propylamino]-6-methyl-quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)propylamino]-6-methyl-quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)propylamino]-6-methyl-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)propylamino]-6-methyl-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)propylamino]-6-methylquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)propylamino]-6-methyl-5-quinolyl]acetamide Formula: C27H38N4O2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O2/c1-17-3-5-23-22(4-6-24(30-23)29-16-18(2)28-7-8-32)26(17)31-25(33)15-27-12-19-9-20(13-27)11-21(10-19)14-27/h3-6,18-21,28,32H,7-16H2,1-2H3,(H,29,30)(H,31,33)