4-[[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,4,5-trimethoxybenzoyl)piperazino]methyl]benzonitrile Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O4/c1-27-19-12-18(13-20(28-2)21(19)29-3)22(26)25-10-8-24(9-11-25)15-17-6-4-16(14-23)5-7-17/h4-7,12-13H,8-11,15H2,1-3H3