2-(3,4-dimethoxyphenyl)-2-ethyl-5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-[4-(4-fluorobenzoyl)-1-piperidyl]pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]pentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-ethyl-5-[4-(4-fluorobenzoyl)piperidino]valeronitrile Formula: C27H33FN2O3 MolecularWeight: 452.560923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)F)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(CCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)F)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H33FN2O3/c1-4-27(19-29,22-8-11-24(32-2)25(18-22)33-3)14-5-15-30-16-12-21(13-17-30)26(31)20-6-9-23(28)10-7-20/h6-11,18,21H,4-5,12-17H2,1-3H3