3-methyl-4-oxidanylidene-N-(2-pyrrolidin-1-ylpyridin-4-yl)-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(2-pyrrolidin-1-ylpyridin-4-yl)-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide Openeye Name: 3-methyl-4-oxo-N-(2-pyrrolidin-1-yl-4-pyridyl)-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(1-pyrrolidinyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]-8-quinazolinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylpyridin-4-yl)-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide Traditional Name: 4-keto-3-methyl-N-(2-pyrrolidino-4-pyridyl)-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide Formula: C26H22F3N5O2 MolecularWeight: 493.48039

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C=CC=C2C(=O)NC3=CC(=NC=C3)N4CCCC4)C5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

CN1C(=NC2=C(C1=O)C=CC=C2C(=O)NC3=CC(=NC=C3)N4CCCC4)C5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C26H22F3N5O2/c1-33-23(16-6-4-7-17(14-16)26(27,28)29)32-22-19(8-5-9-20(22)25(33)36)24(35)31-18-10-11-30-21(15-18)34-12-2-3-13-34/h4-11,14-15H,2-3,12-13H2,1H3,(H,30,31,35)