N-(1-adamantyl)-6-fluoranyl-4-oxidanylidene-1-pentyl-7-pyrrol-1-yl-quinoline-3-carboxamide

Systemtic Name: N-(1-adamantyl)-6-fluoranyl-4-oxidanylidene-1-pentyl-7-pyrrol-1-yl-quinoline-3-carboxamide Openeye Name: N-(1-adamantyl)-6-fluoro-4-oxo-1-pentyl-7-pyrrol-1-yl-quinoline-3-carboxamide CAS Name: N-(1-adamantyl)-6-fluoro-4-oxo-1-pentyl-7-(1-pyrrolyl)-3-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-6-fluoro-4-oxo-1-pentyl-7-pyrrol-1-ylquinoline-3-carboxamide Traditional Name: N-(1-adamantyl)-1-amyl-6-fluoro-4-keto-7-pyrrol-1-yl-quinoline-3-carboxamide Formula: C29H34FN3O2 MolecularWeight: 475.597563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3C=CC=C3)F)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3C=CC=C3)F)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34FN3O2/c1-2-3-4-9-33-18-23(28(35)31-29-15-19-10-20(16-29)12-21(11-19)17-29)27(34)22-13-24(30)26(14-25(22)33)32-7-5-6-8-32/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,31,35)