2-[3-(2-bromanylethanoyl)-5-tert-butyl-piperazin-1-yl]-2-(2-methoxyphenyl)ethanenitrile

Systemtic Name: 2-[3-(2-bromanylethanoyl)-5-tert-butyl-piperazin-1-yl]-2-(2-methoxyphenyl)ethanenitrile Openeye Name: 2-[3-(2-bromoacetyl)-5-tert-butyl-piperazin-1-yl]-2-(2-methoxyphenyl)acetonitrile CAS Name: 2-[3-(2-bromo-1-oxoethyl)-5-tert-butyl-1-piperazinyl]-2-(2-methoxyphenyl)acetonitrile IUPAC Name: 2-[3-(2-bromoacetyl)-5-tert-butylpiperazin-1-yl]-2-(2-methoxyphenyl)acetonitrile Traditional Name: 2-[3-(2-bromoacetyl)-5-tert-butyl-piperazino]-2-(2-methoxyphenyl)acetonitrile Formula: C19H26BrN3O2 MolecularWeight: 408.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CC(N1)C(=O)CBr)C(C#N)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)(C)C1CN(CC(N1)C(=O)CBr)C(C#N)C2=CC=CC=C2OC

InChI

InChI=1S/C19H26BrN3O2/c1-19(2,3)18-12-23(11-14(22-18)16(24)9-20)15(10-21)13-7-5-6-8-17(13)25-4/h5-8,14-15,18,22H,9,11-12H2,1-4H3