1-[8-[(5-piperidin-1-ylsulfonylquinolin-8-yl)oxy-quinolin-8-yloxy-alumanyl]oxyquinolin-5-yl]hexan-1-one

Systemtic Name: 1-[8-[(5-piperidin-1-ylsulfonylquinolin-8-yl)oxy-quinolin-8-yloxy-alumanyl]oxyquinolin-5-yl]hexan-1-one Openeye Name: 1-[8-[[5-(1-piperidylsulfonyl)-8-quinolyl]oxy-(8-quinolyloxy)alumanyl]oxy-5-quinolyl]hexan-1-one CAS Name: 1-[8-[[5-(1-piperidinylsulfonyl)-8-quinolinyl]oxy-(8-quinolinyloxy)alumanyl]oxy-5-quinolinyl]-1-hexanone IUPAC Name: 1-[8-[(5-piperidin-1-ylsulfonylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]hexan-1-one Traditional Name: 1-[8-[(5-piperidinosulfonyl-8-quinolyl)oxy-(8-quinolyloxy)alumanyl]oxy-5-quinolyl]hexan-1-one Formula: C38H37AlN4O6S MolecularWeight: 704.770118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C2C=CC=NC2=C(C=C1)O[Al](OC3=C4C(=C(C=C3)S(=O)(=O)N5CCCCC5)C=CC=N4)OC6=CC=CC7=C6N=CC=C7

Isomeric SMILES

CCCCCC(=O)C1=C2C=CC=NC2=C(C=C1)O[Al](OC3=C4C(=C(C=C3)S(=O)(=O)N5CCCCC5)C=CC=N4)OC6=CC=CC7=C6N=CC=C7

InChI

InChI=1S/C15H17NO2.C14H16N2O3S.C9H7NO.Al/c1-2-3-4-7-13(17)11-8-9-14(18)15-12(11)6-5-10-16-15;17-12-6-7-13(11-5-4-8-15-14(11)12)20(18,19)16-9-2-1-3-10-16;11-8-5-1-3-7-4-2-6-10-9(7)8;/h5-6,8-10,18H,2-4,7H2,1H3;4-8,17H,1-3,9-10H2;1-6,11H;/q;;;+3/p-3