2-[[3-(2,2-dimethylpropanoyl)indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(2,2-dimethylpropanoyl)indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-(2,2-dimethylpropanoyl)indol-1-yl]methyl]benzonitrile CAS Name: 2-[[3-(2,2-dimethyl-1-oxopropyl)-1-indolyl]methyl]benzonitrile IUPAC Name: 2-[[3-(2,2-dimethylpropanoyl)indol-1-yl]methyl]benzonitrile Traditional Name: 2-[(3-pivaloylindol-1-yl)methyl]benzonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N2O/c1-21(2,3)20(24)18-14-23(19-11-7-6-10-17(18)19)13-16-9-5-4-8-15(16)12-22/h4-11,14H,13H2,1-3H3