N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-1-(3,5-dimethoxyphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-1-(3,5-dimethoxyphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(E)-(2-chloro-6-fluoro-phenyl)methyleneamino]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide CAS Name: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3,5-dimethoxyphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide Traditional Name: N-[(E)-(2-chloro-6-fluoro-benzylidene)amino]-1-(3,5-dimethoxybenzoyl)isonipecotamide Formula: C22H23ClFN3O4 MolecularWeight: 447.887123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClFN3O4/c1-30-16-10-15(11-17(12-16)31-2)22(29)27-8-6-14(7-9-27)21(28)26-25-13-18-19(23)4-3-5-20(18)24/h3-5,10-14H,6-9H2,1-2H3,(H,26,28)/b25-13+