(3S)-1-[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl]-N-phenyl-nipecotamide Formula: C20H21ClFN3O2 MolecularWeight: 389.851043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC2=C(C=CC(=C2)Cl)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)CC(=O)NC2=C(C=CC(=C2)Cl)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21ClFN3O2/c21-15-8-9-17(22)18(11-15)24-19(26)13-25-10-4-5-14(12-25)20(27)23-16-6-2-1-3-7-16/h1-3,6-9,11,14H,4-5,10,12-13H2,(H,23,27)(H,24,26)/t14-/m0/s1