N-(1-adamantyl)-6-(3-chloranyl-4-fluoranyl-phenoxy)-4-oxidanylidene-1-pentyl-quinoline-3-carboxamide

Systemtic Name: N-(1-adamantyl)-6-(3-chloranyl-4-fluoranyl-phenoxy)-4-oxidanylidene-1-pentyl-quinoline-3-carboxamide Openeye Name: N-(1-adamantyl)-6-(3-chloro-4-fluoro-phenoxy)-4-oxo-1-pentyl-quinoline-3-carboxamide CAS Name: N-(1-adamantyl)-6-(3-chloro-4-fluorophenoxy)-4-oxo-1-pentyl-3-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-6-(3-chloro-4-fluorophenoxy)-4-oxo-1-pentylquinoline-3-carboxamide Traditional Name: N-(1-adamantyl)-1-amyl-6-(3-chloro-4-fluoro-phenoxy)-4-keto-quinoline-3-carboxamide Formula: C31H34ClFN2O3 MolecularWeight: 537.064663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)OC3=CC(=C(C=C3)F)Cl)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)OC3=CC(=C(C=C3)F)Cl)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H34ClFN2O3/c1-2-3-4-9-35-18-25(30(37)34-31-15-19-10-20(16-31)12-21(11-19)17-31)29(36)24-13-22(6-8-28(24)35)38-23-5-7-27(33)26(32)14-23/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,34,37)