4-[[4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-bromo-4-methyl-phenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-bromo-4-methylphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-bromo-4-methyl-phenoxy)acetyl]piperazino]methyl]benzonitrile Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C21H22BrN3O2/c1-16-2-7-20(19(22)12-16)27-15-21(26)25-10-8-24(9-11-25)14-18-5-3-17(13-23)4-6-18/h2-7,12H,8-11,14-15H2,1H3