N-[6-(methylamino)quinazolin-5-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[6-(methylamino)quinazolin-5-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[6-(methylamino)quinazolin-5-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[6-(methylamino)-5-quinazolinyl]-1-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[6-(methylamino)quinazolin-5-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[6-(methylamino)quinazolin-5-yl]-1-[3-(trifluoromethyl)phenyl]isonipecotamide Formula: C22H22F3N5O MolecularWeight: 429.43819

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C2=CN=CN=C2C=C1)NC(=O)C3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CNC1=C(C2=CN=CN=C2C=C1)NC(=O)C3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H22F3N5O/c1-26-19-6-5-18-17(12-27-13-28-18)20(19)29-21(31)14-7-9-30(10-8-14)16-4-2-3-15(11-16)22(23,24)25/h2-6,11-14,26H,7-10H2,1H3,(H,29,31)