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

Systemtic Name: 2-[[3-(2-methylpropanoyl)indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-(2-methylpropanoyl)indol-1-yl]methyl]benzonitrile CAS Name: 2-[[3-(2-methyl-1-oxopropyl)-1-indolyl]methyl]benzonitrile IUPAC Name: 2-[[3-(2-methylpropanoyl)indol-1-yl]methyl]benzonitrile Traditional Name: 2-[(3-isobutyrylindol-1-yl)methyl]benzonitrile Formula: C20H18N2O MolecularWeight: 302.36972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O/c1-14(2)20(23)18-13-22(19-10-6-5-9-17(18)19)12-16-8-4-3-7-15(16)11-21/h3-10,13-14H,12H2,1-2H3