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

Systemtic Name: 2-(1-adamantyl)-N-[2-[2-(3,3-dimethylbutylamino)ethylamino]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[2-(3,3-dimethylbutylamino)ethylamino]-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-(3,3-dimethylbutylamino)ethylamino]-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[2-(3,3-dimethylbutylamino)ethylamino]quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[2-(3,3-dimethylbutylamino)ethylamino]-5-quinolyl]acetamide Formula: C29H42N4O MolecularWeight: 462.66998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4O/c1-28(2,3)9-10-30-11-12-31-26-8-7-23-24(32-26)5-4-6-25(23)33-27(34)19-29-16-20-13-21(17-29)15-22(14-20)18-29/h4-8,20-22,30H,9-19H2,1-3H3,(H,31,32)(H,33,34)