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

Systemtic Name: 4-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-veratroylpiperazino)methyl]benzonitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-26-19-8-7-18(13-20(19)27-2)21(25)24-11-9-23(10-12-24)15-17-5-3-16(14-22)4-6-17/h3-8,13H,9-12,15H2,1-2H3