N-(9-ethylpurin-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(9-ethylpurin-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(9-ethylpurin-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(9-ethyl-6-purinyl)-1-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(9-ethylpurin-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(9-ethylpurin-6-yl)-1-[3-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H21F3N6O MolecularWeight: 418.41555

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=CN=C2NC(=O)C3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCN1C=NC2=C1N=CN=C2NC(=O)C3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H21F3N6O/c1-2-28-12-26-16-17(24-11-25-18(16)28)27-19(30)13-6-8-29(9-7-13)15-5-3-4-14(10-15)20(21,22)23/h3-5,10-13H,2,6-9H2,1H3,(H,24,25,27,30)