2-(4-fluorophenyl)-1-[1-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]-5-propan-2-yl-pyrrole-3,4-dicarbonitrile

Systemtic Name: 2-(4-fluorophenyl)-1-[1-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]-5-propan-2-yl-pyrrole-3,4-dicarbonitrile Openeye Name: 2-(4-fluorophenyl)-1-[1-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)ethyl]-5-isopropyl-pyrrole-3,4-dicarbonitrile CAS Name: 2-(4-fluorophenyl)-1-[1-(4-hydroxy-6-oxo-2-oxanyl)ethyl]-5-propan-2-ylpyrrole-3,4-dicarbonitrile IUPAC Name: 2-(4-fluorophenyl)-1-[1-(4-hydroxy-6-oxooxan-2-yl)ethyl]-5-propan-2-ylpyrrole-3,4-dicarbonitrile Traditional Name: 2-(4-fluorophenyl)-1-[1-(4-hydroxy-6-keto-tetrahydropyran-2-yl)ethyl]-5-isopropyl-pyrrole-3,4-dicarbonitrile Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(N1C(C)C2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C#N)C#N

Isomeric SMILES

CC(C)C1=C(C(=C(N1C(C)C2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C#N)C#N

InChI

InChI=1S/C22H22FN3O3/c1-12(2)21-17(10-24)18(11-25)22(14-4-6-15(23)7-5-14)26(21)13(3)19-8-16(27)9-20(28)29-19/h4-7,12-13,16,19,27H,8-9H2,1-3H3