2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(2,3,4-trimethoxybenzyl)piperazino]benzonitrile Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3C#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3C#N)OC)OC

InChI

InChI=1S/C21H25N3O3/c1-25-19-9-8-17(20(26-2)21(19)27-3)15-23-10-12-24(13-11-23)18-7-5-4-6-16(18)14-22/h4-9H,10-13,15H2,1-3H3