[2-[[5-[2-(1-adamantyl)ethanoylamino]quinolin-2-yl]amino]ethylamino] ethanoate

Systemtic Name: [2-[[5-[2-(1-adamantyl)ethanoylamino]quinolin-2-yl]amino]ethylamino] ethanoate Openeye Name: [2-[[5-[[2-(1-adamantyl)acetyl]amino]-2-quinolyl]amino]ethylamino] acetate CAS Name: acetic acid [2-[[5-[[2-(1-adamantyl)-1-oxoethyl]amino]-2-quinolinyl]amino]ethylamino] ester IUPAC Name: [2-[[5-[[2-(1-adamantyl)acetyl]amino]quinolin-2-yl]amino]ethylamino] acetate Traditional Name: acetic acid [2-[[5-[[2-(1-adamantyl)acetyl]amino]-2-quinolyl]amino]ethylamino] ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ONCCNC1=NC2=C(C=C1)C(=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)ONCCNC1=NC2=C(C=C1)C(=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N4O3/c1-16(30)32-27-8-7-26-23-6-5-20-21(28-23)3-2-4-22(20)29-24(31)15-25-12-17-9-18(13-25)11-19(10-17)14-25/h2-6,17-19,27H,7-15H2,1H3,(H,26,28)(H,29,31)