N-[3-oxidanylidene-3-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-oxo-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]propyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[2-pyrrolidino-5-(trifluoromethyl)anilino]propyl]adamantane-1-carboxamide Formula: C25H32F3N3O2 MolecularWeight: 463.53569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32F3N3O2/c26-25(27,28)19-3-4-21(31-7-1-2-8-31)20(12-19)30-22(32)5-6-29-23(33)24-13-16-9-17(14-24)11-18(10-16)15-24/h3-4,12,16-18H,1-2,5-11,13-15H2,(H,29,33)(H,30,32)