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

Systemtic Name: N-(1-adamantyl)-N-[2-[3-(4-methylpiperazin-1-yl)propylamino]quinolin-5-yl]ethanamide Openeye Name: N-(1-adamantyl)-N-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5-quinolyl]acetamide CAS Name: N-(1-adamantyl)-N-[2-[3-(4-methyl-1-piperazinyl)propylamino]-5-quinolinyl]acetamide IUPAC Name: N-(1-adamantyl)-N-[2-[3-(4-methylpiperazin-1-yl)propylamino]quinolin-5-yl]acetamide Traditional Name: N-(1-adamantyl)-N-[2-[3-(4-methylpiperazino)propylamino]-5-quinolyl]acetamide Formula: C29H41N5O MolecularWeight: 475.66874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC2=C1C=CC(=N2)NCCCN3CCN(CC3)C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)N(C1=CC=CC2=C1C=CC(=N2)NCCCN3CCN(CC3)C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H41N5O/c1-21(35)34(29-18-22-15-23(19-29)17-24(16-22)20-29)27-6-3-5-26-25(27)7-8-28(31-26)30-9-4-10-33-13-11-32(2)12-14-33/h3,5-8,22-24H,4,9-20H2,1-2H3,(H,30,31)