N-[4-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[2-morpholino-5-(trifluoromethyl)anilino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[2-morpholino-5-(trifluoromethyl)anilino]butyl]adamantane-1-carboxamide Formula: C26H34F3N3O3 MolecularWeight: 493.56167

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34F3N3O3/c27-26(28,29)20-3-4-22(32-6-8-35-9-7-32)21(13-20)31-23(33)2-1-5-30-24(34)25-14-17-10-18(15-25)12-19(11-17)16-25/h3-4,13,17-19H,1-2,5-12,14-16H2,(H,30,34)(H,31,33)