(2S)-3-(1-adamantyl)-2-(1H-benzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-3-(1-adamantyl)-2-(1H-benzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-3-(1-adamantyl)-2-(1H-benzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: (2S)-3-(1-adamantyl)-2-(1H-benzimidazol-2-yl)-3-oxopropanenitrile IUPAC Name: (2S)-3-(1-adamantyl)-2-(1H-benzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: (2S)-3-(1-adamantyl)-2-(1H-benzimidazol-2-yl)-3-keto-propionitrile Formula: C20H21N3O MolecularWeight: 319.40024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C(C#N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@@H](C#N)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C20H21N3O/c21-11-15(19-22-16-3-1-2-4-17(16)23-19)18(24)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-15H,5-10H2,(H,22,23)/t12?,13?,14?,15-,20?/m1/s1