3-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidino]methyl]benzonitrile Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H31N3O/c1-30(2)21-25-8-3-4-9-28(25)24-10-12-26(13-11-24)32-27-14-16-31(17-15-27)20-23-7-5-6-22(18-23)19-29/h3-13,18,27H,14-17,20-21H2,1-2H3