4-[[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]piperazino]methyl]benzonitrile Formula: C22H21ClN4O MolecularWeight: 392.88134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=CC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=CC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O/c23-20-7-5-19(6-8-20)22-13-21(28-25-22)16-27-11-9-26(10-12-27)15-18-3-1-17(14-24)2-4-18/h1-8,13H,9-12,15-16H2