(2S)-4-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-butanenitrile CAS Name: (2S)-4-(1-adamantyl)-2-(1-methyl-2-benzimidazolyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)-3-oxobutanenitrile Traditional Name: (2S)-4-(1-adamantyl)-3-keto-2-(1-methylbenzimidazol-2-yl)butyronitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25N3O/c1-25-19-5-3-2-4-18(19)24-21(25)17(13-23)20(26)12-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-17H,6-12H2,1H3/t14?,15?,16?,17-,22?/m1/s1