4-[4-(2-chloranylethanoyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-chloranylethanoyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2-chloroacetyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(2-chloro-1-oxoethyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2-chloroacetyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-chloroacetyl)piperazino]benzonitrile Formula: C13H14ClN3O MolecularWeight: 263.72276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)CCl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)CCl

InChI

InChI=1S/C13H14ClN3O/c14-9-13(18)17-7-5-16(6-8-17)12-3-1-11(10-15)2-4-12/h1-4H,5-9H2