4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]benzonitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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