2-(1-adamantyl)-N-[2-[3-(pyridin-2-ylmethylamino)propylamino]quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[3-(pyridin-2-ylmethylamino)propylamino]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[3-(2-pyridylmethylamino)propylamino]-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[3-(2-pyridinylmethylamino)propylamino]-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[3-(pyridin-2-ylmethylamino)propylamino]quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[3-(2-pyridylmethylamino)propylamino]-5-quinolyl]acetamide Formula: C30H37N5O MolecularWeight: 483.64768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCCNCC6=CC=CC=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCCNCC6=CC=CC=N6

InChI

InChI=1S/C30H37N5O/c36-29(19-30-16-21-13-22(17-30)15-23(14-21)18-30)35-27-7-3-6-26-25(27)8-9-28(34-26)33-12-4-10-31-20-24-5-1-2-11-32-24/h1-3,5-9,11,21-23,31H,4,10,12-20H2,(H,33,34)(H,35,36)