2-(1-adamantyl)-N-[2-[3-[(4-methylphenyl)methylamino]propylamino]quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[3-[(4-methylphenyl)methylamino]propylamino]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[3-(p-tolylmethylamino)propylamino]-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[3-[(4-methylphenyl)methylamino]propylamino]-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[3-[(4-methylphenyl)methylamino]propylamino]quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[3-[(4-methylbenzyl)amino]propylamino]-5-quinolyl]acetamide Formula: C32H40N4O MolecularWeight: 496.6862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCCCNC2=NC3=C(C=C2)C(=CC=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)CNCCCNC2=NC3=C(C=C2)C(=CC=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H40N4O/c1-22-6-8-23(9-7-22)21-33-12-3-13-34-30-11-10-27-28(35-30)4-2-5-29(27)36-31(37)20-32-17-24-14-25(18-32)16-26(15-24)19-32/h2,4-11,24-26,33H,3,12-21H2,1H3,(H,34,35)(H,36,37)