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

Systemtic Name: 2-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]-1-piperidyl]methyl]benzonitrile CAS Name: 2-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[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=C4C#N

Isomeric SMILES

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=C4C#N

InChI

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