N-(1,3-benzodioxol-5-ylmethyl)-4-[5-[3-fluoranyl-5-(trifluoromethyl)phenyl]-2-morpholin-4-yl-pyrimidin-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-[3-fluoranyl-5-(trifluoromethyl)phenyl]-2-morpholin-4-yl-pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-[3-fluoro-5-(trifluoromethyl)phenyl]-2-morpholino-pyrimidin-4-yl]-1H-pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-morpholinyl)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-[3-fluoro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[5-[3-fluoro-5-(trifluoromethyl)phenyl]-2-morpholino-pyrimidin-4-yl]-N-piperonyl-1H-pyrrole-2-carboxamide Formula: C28H23F4N5O4 MolecularWeight: 569.506933

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C(=N2)C3=CNC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC(=CC(=C6)F)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=NC=C(C(=N2)C3=CNC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC(=CC(=C6)F)C(F)(F)F

InChI

InChI=1S/C28H23F4N5O4/c29-20-9-17(8-19(11-20)28(30,31)32)21-14-35-27(37-3-5-39-6-4-37)36-25(21)18-10-22(33-13-18)26(38)34-12-16-1-2-23-24(7-16)41-15-40-23/h1-2,7-11,13-14,33H,3-6,12,15H2,(H,34,38)