N-[1-(4-bromophenyl)-1-cyano-4,4-dimethyl-pentan-2-yl]benzamide

Systemtic Name: N-[1-(4-bromophenyl)-1-cyano-4,4-dimethyl-pentan-2-yl]benzamide Openeye Name: N-[1-[(4-bromophenyl)-cyano-methyl]-3,3-dimethyl-butyl]benzamide CAS Name: N-[1-(4-bromophenyl)-1-cyano-4,4-dimethylpentan-2-yl]benzamide IUPAC Name: N-[1-(4-bromophenyl)-1-cyano-4,4-dimethylpentan-2-yl]benzamide Traditional Name: N-[1-[(4-bromophenyl)-cyano-methyl]-3,3-dimethyl-butyl]benzamide Formula: C21H23BrN2O MolecularWeight: 399.32412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(C#N)C1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(C(C#N)C1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23BrN2O/c1-21(2,3)13-19(24-20(25)16-7-5-4-6-8-16)18(14-23)15-9-11-17(22)12-10-15/h4-12,18-19H,13H2,1-3H3,(H,24,25)