3-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-(1-adamantyl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-(1-adamantyl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H23N3O/c1-24-18-5-3-2-4-17(18)23-20(24)16(12-22)19(25)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-16H,6-11H2,1H3