(2S,3S)-2-(1-adamantylcarbonyl)-3-(4-bromanyl-2-fluoranyl-phenyl)cyclopropane-1,1-dicarbonitrile

Systemtic Name: (2S,3S)-2-(1-adamantylcarbonyl)-3-(4-bromanyl-2-fluoranyl-phenyl)cyclopropane-1,1-dicarbonitrile Openeye Name: (2S,3S)-2-(adamantane-1-carbonyl)-3-(4-bromo-2-fluoro-phenyl)cyclopropane-1,1-dicarbonitrile CAS Name: (2S,3S)-2-[1-adamantyl(oxo)methyl]-3-(4-bromo-2-fluorophenyl)cyclopropane-1,1-dicarbonitrile IUPAC Name: (2S,3S)-2-(adamantane-1-carbonyl)-3-(4-bromo-2-fluorophenyl)cyclopropane-1,1-dicarbonitrile Traditional Name: (2S,3S)-2-(adamantane-1-carbonyl)-3-(4-bromo-2-fluoro-phenyl)cyclopropane-1,1-dicarbonitrile Formula: C22H20BrFN2O MolecularWeight: 427.309403

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C4(C#N)C#N)C5=C(C=C(C=C5)Br)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@@H](C4(C#N)C#N)C5=C(C=C(C=C5)Br)F

InChI

InChI=1S/C22H20BrFN2O/c23-15-1-2-16(17(24)6-15)18-19(22(18,10-25)11-26)20(27)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,12-14,18-19H,3-5,7-9H2/t12?,13?,14?,18-,19+,21?/m0/s1