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

Systemtic Name: 2-(1-adamantyl)-N-[6-methyl-2-[2-(3-oxidanylpropylamino)ethyl]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[2-(3-hydroxypropylamino)ethyl]-6-methyl-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-(3-hydroxypropylamino)ethyl]-6-methyl-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[2-(3-hydroxypropylamino)ethyl]-6-methylquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[2-(3-hydroxypropylamino)ethyl]-6-methyl-5-quinolyl]acetamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O2/c1-18-3-6-24-23(5-4-22(29-24)7-9-28-8-2-10-31)26(18)30-25(32)17-27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,19-21,28,31H,2,7-17H2,1H3,(H,30,32)