4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]benzonitrile Formula: C23H26N2O3 MolecularWeight: 378.46414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C23H26N2O3/c1-27-21-13-19(14-22(15-21)28-2)4-3-17-9-11-25(12-10-17)23(26)20-7-5-18(16-24)6-8-20/h5-8,13-15,17H,3-4,9-12H2,1-2H3