N-(1-adamantyl)-6-bromanyl-4-oxidanylidene-1-pent-4-enyl-quinoline-3-carboxamide

Systemtic Name: N-(1-adamantyl)-6-bromanyl-4-oxidanylidene-1-pent-4-enyl-quinoline-3-carboxamide Openeye Name: N-(1-adamantyl)-6-bromo-4-oxo-1-pent-4-enyl-quinoline-3-carboxamide CAS Name: N-(1-adamantyl)-6-bromo-4-oxo-1-pent-4-enyl-3-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-6-bromo-4-oxo-1-pent-4-enylquinoline-3-carboxamide Traditional Name: N-(1-adamantyl)-6-bromo-4-keto-1-pent-4-enyl-quinoline-3-carboxamide Formula: C25H29BrN2O2 MolecularWeight: 469.41396

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCN1C=C(C(=O)C2=C1C=CC(=C2)Br)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCCCN1C=C(C(=O)C2=C1C=CC(=C2)Br)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29BrN2O2/c1-2-3-4-7-28-15-21(23(29)20-11-19(26)5-6-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h2,5-6,11,15-18H,1,3-4,7-10,12-14H2,(H,27,30)