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

Systemtic Name: 4-[[4-(4-methoxy-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-hydroxy-4-methoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-hydroxy-4-methoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-26-17-6-7-18(19(24)12-17)20(25)23-10-8-22(9-11-23)14-16-4-2-15(13-21)3-5-16/h2-7,12,24H,8-11,14H2,1H3