4-[[4-(3-chloranyl-4,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-chloranyl-4,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-4,5-dimethoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-chloro-4,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chloro-4,5-dimethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chloro-4,5-dimethoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)Cl)OC

InChI

InChI=1S/C21H22ClN3O3/c1-27-19-12-17(11-18(22)20(19)28-2)21(26)25-9-7-24(8-10-25)14-16-5-3-15(13-23)4-6-16/h3-6,11-12H,7-10,14H2,1-2H3