N-(3-chloranyl-4-fluoranyl-phenyl)-1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-[2-(4-methylanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-[2-keto-2-(p-toluidino)ethyl]isonipecotamide Formula: C21H23ClFN3O2 MolecularWeight: 403.877623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H23ClFN3O2/c1-14-2-4-16(5-3-14)24-20(27)13-26-10-8-15(9-11-26)21(28)25-17-6-7-19(23)18(22)12-17/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)(H,25,28)