3-[2-bromanyl-5-(4-fluorophenyl)-3-oxidanylidene-2-propan-2-yl-1-pyridin-4-yl-6-oxa-4-azabicyclo[3.1.0]hexan-4-yl]propanenitrile

Systemtic Name: 3-[2-bromanyl-5-(4-fluorophenyl)-3-oxidanylidene-2-propan-2-yl-1-pyridin-4-yl-6-oxa-4-azabicyclo[3.1.0]hexan-4-yl]propanenitrile Openeye Name: 3-[2-bromo-5-(4-fluorophenyl)-2-isopropyl-3-oxo-1-(4-pyridyl)-6-oxa-4-azabicyclo[3.1.0]hexan-4-yl]propanenitrile CAS Name: 3-[2-bromo-5-(4-fluorophenyl)-3-oxo-2-propan-2-yl-1-pyridin-4-yl-6-oxa-4-azabicyclo[3.1.0]hexan-4-yl]propanenitrile IUPAC Name: 3-[2-bromo-5-(4-fluorophenyl)-3-oxo-2-propan-2-yl-1-pyridin-4-yl-6-oxa-4-azabicyclo[3.1.0]hexan-4-yl]propanenitrile Traditional Name: 3-[2-bromo-5-(4-fluorophenyl)-2-isopropyl-3-keto-1-(4-pyridyl)-6-oxa-4-azabicyclo[3.1.0]hexan-4-yl]propionitrile Formula: C21H19BrFN3O2 MolecularWeight: 444.296863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)N(C2(C1(O2)C3=CC=NC=C3)C4=CC=C(C=C4)F)CCC#N)Br

Isomeric SMILES

CC(C)C1(C(=O)N(C2(C1(O2)C3=CC=NC=C3)C4=CC=C(C=C4)F)CCC#N)Br

InChI

InChI=1S/C21H19BrFN3O2/c1-14(2)19(22)18(27)26(13-3-10-24)21(16-4-6-17(23)7-5-16)20(19,28-21)15-8-11-25-12-9-15/h4-9,11-12,14H,3,13H2,1-2H3