4-oxidanylidene-N-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazoline-7-carboxamide Openeye Name: 4-oxo-N-(3-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazoline-7-carboxamide CAS Name: 4-oxo-N-(3-pyridinylmethyl)-3-[3-(trifluoromethyl)phenyl]-7-quinazolinecarboxamide IUPAC Name: 4-oxo-N-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazoline-7-carboxamide Traditional Name: 4-keto-N-(3-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazoline-7-carboxamide Formula: C22H15F3N4O2 MolecularWeight: 424.37531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NCC4=CN=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NCC4=CN=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H15F3N4O2/c23-22(24,25)16-4-1-5-17(10-16)29-13-28-19-9-15(6-7-18(19)21(29)31)20(30)27-12-14-3-2-8-26-11-14/h1-11,13H,12H2,(H,27,30)