N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(3-fluorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(3-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(3-fluorobenzoyl)isonipecotamide Formula: C21H22ClFN2O4 MolecularWeight: 420.861783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)F)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)F)OC)Cl

InChI

InChI=1S/C21H22ClFN2O4/c1-28-18-12-17(19(29-2)11-16(18)22)24-20(26)13-6-8-25(9-7-13)21(27)14-4-3-5-15(23)10-14/h3-5,10-13H,6-9H2,1-2H3,(H,24,26)