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

Systemtic Name: 3-[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[4-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidine-1-carbonyl]benzonitrile Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O2/c1-30(2)20-24-7-3-4-9-27(24)22-10-12-25(13-11-22)33-26-14-16-31(17-15-26)28(32)23-8-5-6-21(18-23)19-29/h3-13,18,26H,14-17,20H2,1-2H3