2-(1-adamantyl)-N-[2-[2-(3-methylbutylamino)ethylamino]quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[2-(3-methylbutylamino)ethylamino]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[2-(isopentylamino)ethylamino]-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-(3-methylbutylamino)ethylamino]-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[2-(3-methylbutylamino)ethylamino]quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[2-(isoamylamino)ethylamino]-5-quinolyl]acetamide Formula: C28H40N4O MolecularWeight: 448.6434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCCNC1=NC2=C(C=C1)C(=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CCNCCNC1=NC2=C(C=C1)C(=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H40N4O/c1-19(2)8-9-29-10-11-30-26-7-6-23-24(31-26)4-3-5-25(23)32-27(33)18-28-15-20-12-21(16-28)14-22(13-20)17-28/h3-7,19-22,29H,8-18H2,1-2H3,(H,30,31)(H,32,33)