4-[[4-[2-[(3-methoxyphenyl)methoxy]ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(3-methoxyphenyl)methoxy]ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-[(3-methoxyphenyl)methoxy]-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-m-anisyloxyacetyl)piperazino]methyl]benzonitrile Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-27-21-4-2-3-20(13-21)16-28-17-22(26)25-11-9-24(10-12-25)15-19-7-5-18(14-23)6-8-19/h2-8,13H,9-12,15-17H2,1H3