N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-1-(4-methoxyphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-1-(4-methoxyphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(E)-(2-chloro-6-fluoro-phenyl)methyleneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide CAS Name: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(4-methoxyphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide Traditional Name: N-[(E)-(2-chloro-6-fluoro-benzylidene)amino]-1-p-anisoyl-isonipecotamide Formula: C21H21ClFN3O3 MolecularWeight: 417.861143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NN=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N/N=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H21ClFN3O3/c1-29-16-7-5-15(6-8-16)21(28)26-11-9-14(10-12-26)20(27)25-24-13-17-18(22)3-2-4-19(17)23/h2-8,13-14H,9-12H2,1H3,(H,25,27)/b24-13+