4-phenylmethoxy-3-[3,5,6-tris(fluoranyl)-4-morpholin-4-yl-pyridin-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 4-phenylmethoxy-3-[3,5,6-tris(fluoranyl)-4-morpholin-4-yl-pyridin-2-yl]oxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[(3,5,6-trifluoro-4-morpholino-2-pyridyl)oxy]benzonitrile CAS Name: 4-phenylmethoxy-3-[[3,5,6-trifluoro-4-(4-morpholinyl)-2-pyridinyl]oxy]benzonitrile IUPAC Name: 4-phenylmethoxy-3-(3,5,6-trifluoro-4-morpholin-4-ylpyridin-2-yl)oxybenzonitrile Traditional Name: 4-benzoxy-3-[(3,5,6-trifluoro-4-morpholino-2-pyridyl)oxy]benzonitrile Formula: C23H18F3N3O3 MolecularWeight: 443.388593

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC(=C2F)F)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4)F

Isomeric SMILES

C1COCCN1C2=C(C(=NC(=C2F)F)OC3=C(C=CC(=C3)[13C]#[15N])OCC4=CC=CC=C4)F

InChI

InChI=1S/C23H18F3N3O3/c24-19-21(29-8-10-30-11-9-29)20(25)23(28-22(19)26)32-18-12-16(13-27)6-7-17(18)31-14-15-4-2-1-3-5-15/h1-7,12H,8-11,14H2/i13+1,27+1