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

Systemtic Name: N-(1-adamantyl)-6-bromanyl-1-but-3-enyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(1-adamantyl)-6-bromo-1-but-3-enyl-4-oxo-quinoline-3-carboxamide CAS Name: N-(1-adamantyl)-6-bromo-1-but-3-enyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-6-bromo-1-but-3-enyl-4-oxoquinoline-3-carboxamide Traditional Name: N-(1-adamantyl)-6-bromo-1-but-3-enyl-4-keto-quinoline-3-carboxamide Formula: C24H27BrN2O2 MolecularWeight: 455.38738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCN1C=C(C(=O)C2=C1C=CC(=C2)Br)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCCN1C=C(C(=O)C2=C1C=CC(=C2)Br)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H27BrN2O2/c1-2-3-6-27-14-20(22(28)19-10-18(25)4-5-21(19)27)23(29)26-24-11-15-7-16(12-24)9-17(8-15)13-24/h2,4-5,10,14-17H,1,3,6-9,11-13H2,(H,26,29)