3-[[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2,4-dichlorobenzoyl)piperazino]methyl]benzonitrile Formula: C19H17Cl2N3O MolecularWeight: 374.26378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2N3O/c20-16-4-5-17(18(21)11-16)19(25)24-8-6-23(7-9-24)13-15-3-1-2-14(10-15)12-22/h1-5,10-11H,6-9,13H2