4-[[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chloro-2-hydroxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chloro-2-hydroxy-benzoyl)piperazino]methyl]benzonitrile Formula: C19H18ClN3O2 MolecularWeight: 355.81812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C19H18ClN3O2/c20-16-5-6-18(24)17(11-16)19(25)23-9-7-22(8-10-23)13-15-3-1-14(12-21)2-4-15/h1-6,11,24H,7-10,13H2