N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-1-(4-fluorobenzoyl)isonipecotamide Formula: C22H23ClFN3O3 MolecularWeight: 431.887723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23ClFN3O3/c1-14-18(23)3-2-4-19(14)26-20(28)13-25-21(29)15-9-11-27(12-10-15)22(30)16-5-7-17(24)8-6-16/h2-8,15H,9-13H2,1H3,(H,25,29)(H,26,28)