3-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorophenyl)carbonyl-3-methyl-5-piperidin-1-yl-tridecanenitrile

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorophenyl)carbonyl-3-methyl-5-piperidin-1-yl-tridecanenitrile Openeye Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorobenzoyl)-3-methyl-5-(1-piperidyl)tridecanenitrile CAS Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-5-[(4-fluorophenyl)-oxomethyl]-3-methyl-5-(1-piperidinyl)tridecanenitrile IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorobenzoyl)-3-methyl-5-piperidin-1-yltridecanenitrile Traditional Name: 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(4-fluorobenzoyl)-3-methyl-5-piperidino-tridecanenitrile Formula: C36H51FN2O3 MolecularWeight: 578.800143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(C)(C1=CC(=C(C=C1)OC)OC)C(CC)C#N)(C(=O)C2=CC=C(C=C2)F)N3CCCCC3

Isomeric SMILES

CCCCCCCCC(CC(C)(C1=CC(=C(C=C1)OC)OC)C(CC)C#N)(C(=O)C2=CC=C(C=C2)F)N3CCCCC3

InChI

InChI=1S/C36H51FN2O3/c1-6-8-9-10-11-13-22-36(39-23-14-12-15-24-39,34(40)28-16-19-31(37)20-17-28)27-35(3,29(7-2)26-38)30-18-21-32(41-4)33(25-30)42-5/h16-21,25,29H,6-15,22-24,27H2,1-5H3