(2S)-2-(1H-benzimidazol-2-yl)-4-naphthalen-1-yloxy-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-(1H-benzimidazol-2-yl)-4-naphthalen-1-yloxy-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(1-naphthyloxy)-3-oxo-butanenitrile CAS Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(1-naphthalenyloxy)-3-oxobutanenitrile IUPAC Name: (2S)-2-(1H-benzimidazol-2-yl)-4-naphthalen-1-yloxy-3-oxobutanenitrile Traditional Name: (2S)-2-(1H-benzimidazol-2-yl)-3-keto-4-(1-naphthoxy)butyronitrile Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(=O)[C@@H](C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H15N3O2/c22-12-16(21-23-17-9-3-4-10-18(17)24-21)19(25)13-26-20-11-5-7-14-6-1-2-8-15(14)20/h1-11,16H,13H2,(H,23,24)/t16-/m1/s1