3-oxidanylidene-2-quinolin-2-yl-3-[1-[4-(trifluoromethyl)phenyl]carbonylpiperidin-4-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-2-quinolin-2-yl-3-[1-[4-(trifluoromethyl)phenyl]carbonylpiperidin-4-yl]propanenitrile Openeye Name: 3-oxo-2-(2-quinolyl)-3-[1-[4-(trifluoromethyl)benzoyl]-4-piperidyl]propanenitrile CAS Name: 3-oxo-3-[1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]-2-(2-quinolinyl)propanenitrile IUPAC Name: 3-oxo-2-quinolin-2-yl-3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propanenitrile Traditional Name: 3-keto-2-(2-quinolyl)-3-[1-[4-(trifluoromethyl)benzoyl]-4-piperidyl]propionitrile Formula: C25H20F3N3O2 MolecularWeight: 451.44041

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C(C#N)C2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)C(C#N)C2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H20F3N3O2/c26-25(27,28)19-8-5-18(6-9-19)24(33)31-13-11-17(12-14-31)23(32)20(15-29)22-10-7-16-3-1-2-4-21(16)30-22/h1-10,17,20H,11-14H2