2-(1-adamantyl)-N-[6-chloranyl-2-[2-(methylamino)ethylamino]quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[6-chloranyl-2-[2-(methylamino)ethylamino]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[6-chloro-2-[2-(methylamino)ethylamino]-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[6-chloro-2-[2-(methylamino)ethylamino]-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[6-chloro-2-[2-(methylamino)ethylamino]quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[6-chloro-2-[2-(methylamino)ethylamino]-5-quinolyl]acetamide Formula: C24H31ClN4O MolecularWeight: 426.98214

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Descriptors Computed from Structure

Canonical SMILES:

CNCCNC1=NC2=C(C=C1)C(=C(C=C2)Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CNCCNC1=NC2=C(C=C1)C(=C(C=C2)Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31ClN4O/c1-26-6-7-27-21-5-2-18-20(28-21)4-3-19(25)23(18)29-22(30)14-24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,15-17,26H,6-14H2,1H3,(H,27,28)(H,29,30)