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

Systemtic Name: 4-[[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-bromo-2-chloro-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-bromo-2-chlorophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-bromo-2-chloro-benzoyl)piperazino]methyl]benzonitrile Formula: C19H17BrClN3O MolecularWeight: 418.71478

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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)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrClN3O/c20-16-5-6-18(21)17(11-16)19(25)24-9-7-23(8-10-24)13-15-3-1-14(12-22)2-4-15/h1-6,11H,7-10,13H2