N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]pyrazine-2-carboxamide CAS Name: N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]-2-quinazolinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]pyrazine-2-carboxamide Traditional Name: N-[[4-[[3-(trifluoromethyl)benzyl]amino]quinazolin-2-yl]methyl]pyrazinamide Formula: C22H17F3N6O MolecularWeight: 438.40519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CNC(=O)C3=NC=CN=C3)NCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CNC(=O)C3=NC=CN=C3)NCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H17F3N6O/c23-22(24,25)15-5-3-4-14(10-15)11-28-20-16-6-1-2-7-17(16)30-19(31-20)13-29-21(32)18-12-26-8-9-27-18/h1-10,12H,11,13H2,(H,29,32)(H,28,30,31)