(2R,3S)-2-(1-adamantylcarbonyl)-3-pyridin-3-yl-cyclopropane-1,1-dicarbonitrile

Systemtic Name: (2R,3S)-2-(1-adamantylcarbonyl)-3-pyridin-3-yl-cyclopropane-1,1-dicarbonitrile Openeye Name: (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-pyridyl)cyclopropane-1,1-dicarbonitrile CAS Name: (2R,3S)-2-[1-adamantyl(oxo)methyl]-3-(3-pyridinyl)cyclopropane-1,1-dicarbonitrile IUPAC Name: (2R,3S)-2-(adamantane-1-carbonyl)-3-pyridin-3-ylcyclopropane-1,1-dicarbonitrile Traditional Name: (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-pyridyl)cyclopropane-1,1-dicarbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c22-11-21(12-23)17(16-2-1-3-24-10-16)18(21)19(25)20-7-13-4-14(8-20)6-15(5-13)9-20/h1-3,10,13-15,17-18H,4-9H2/t13?,14?,15?,17-,18+,20?/m1/s1