2-(1-adamantyl)-N-[2-[2-[(phenylmethyl)amino]ethylamino]quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[2-[(phenylmethyl)amino]ethylamino]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[2-(benzylamino)ethylamino]-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-[(phenylmethyl)amino]ethylamino]-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[2-(benzylamino)ethylamino]quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[2-(benzylamino)ethylamino]-5-quinolyl]acetamide Formula: C30H36N4O MolecularWeight: 468.63304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCNCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCNCC6=CC=CC=C6

InChI

InChI=1S/C30H36N4O/c35-29(19-30-16-22-13-23(17-30)15-24(14-22)18-30)34-27-8-4-7-26-25(27)9-10-28(33-26)32-12-11-31-20-21-5-2-1-3-6-21/h1-10,22-24,31H,11-20H2,(H,32,33)(H,34,35)