(2S,3S)-2-(1-adamantylcarbonyl)-3-(phenylmethyl)cyclopropane-1,1-dicarbonitrile

Systemtic Name: (2S,3S)-2-(1-adamantylcarbonyl)-3-(phenylmethyl)cyclopropane-1,1-dicarbonitrile Openeye Name: (2S,3S)-2-(adamantane-1-carbonyl)-3-benzyl-cyclopropane-1,1-dicarbonitrile CAS Name: (2S,3S)-2-[1-adamantyl(oxo)methyl]-3-(phenylmethyl)cyclopropane-1,1-dicarbonitrile IUPAC Name: (2S,3S)-2-(adamantane-1-carbonyl)-3-benzylcyclopropane-1,1-dicarbonitrile Traditional Name: (2S,3S)-2-(adamantane-1-carbonyl)-3-benzyl-cyclopropane-1,1-dicarbonitrile Formula: C23H24N2O MolecularWeight: 344.44946

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C4(C#N)C#N)CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@@H](C4(C#N)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N2O/c24-13-23(14-25)19(9-15-4-2-1-3-5-15)20(23)21(26)22-10-16-6-17(11-22)8-18(7-16)12-22/h1-5,16-20H,6-12H2/t16?,17?,18?,19-,20+,22?/m0/s1