8-chloranyl-N-(3,5-dimethyl-1-adamantyl)-4-oxidanylidene-1-pentyl-quinoline-3-carboxamide

Systemtic Name: 8-chloranyl-N-(3,5-dimethyl-1-adamantyl)-4-oxidanylidene-1-pentyl-quinoline-3-carboxamide Openeye Name: 8-chloro-N-(3,5-dimethyl-1-adamantyl)-4-oxo-1-pentyl-quinoline-3-carboxamide CAS Name: 8-chloro-N-(3,5-dimethyl-1-adamantyl)-4-oxo-1-pentyl-3-quinolinecarboxamide IUPAC Name: 8-chloro-N-(3,5-dimethyl-1-adamantyl)-4-oxo-1-pentylquinoline-3-carboxamide Traditional Name: 1-amyl-8-chloro-N-(3,5-dimethyl-1-adamantyl)-4-keto-quinoline-3-carboxamide Formula: C27H35ClN2O2 MolecularWeight: 455.032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C(=O)C2=C1C(=CC=C2)Cl)C(=O)NC34CC5CC(C3)(CC(C5)(C4)C)C

Isomeric SMILES

CCCCCN1C=C(C(=O)C2=C1C(=CC=C2)Cl)C(=O)NC34CC5CC(C3)(CC(C5)(C4)C)C

InChI

InChI=1S/C27H35ClN2O2/c1-4-5-6-10-30-14-20(23(31)19-8-7-9-21(28)22(19)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,29,32)