[5,7-bis(bromanyl)quinolin-8-yl] 2-(1-adamantyl)pyridine-4-carboxylate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 2-(1-adamantyl)pyridine-4-carboxylate Openeye Name: (5,7-dibromo-8-quinolyl) 2-(1-adamantyl)pyridine-4-carboxylate CAS Name: 2-(1-adamantyl)-4-pyridinecarboxylic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 2-(1-adamantyl)pyridine-4-carboxylate Traditional Name: 2-(1-adamantyl)isonicotinic acid (5,7-dibromo-8-quinolyl) ester Formula: C25H22Br2N2O2 MolecularWeight: 542.26238

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC=CC(=C4)C(=O)OC5=C(C=C(C6=C5N=CC=C6)Br)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC=CC(=C4)C(=O)OC5=C(C=C(C6=C5N=CC=C6)Br)Br

InChI

InChI=1S/C25H22Br2N2O2/c26-19-10-20(27)23(22-18(19)2-1-4-29-22)31-24(30)17-3-5-28-21(9-17)25-11-14-6-15(12-25)8-16(7-14)13-25/h1-5,9-10,14-16H,6-8,11-13H2