(3S)-N-(3-chloranyl-4-methyl-phenyl)-3-(5-fluoranyl-2-methoxy-phenyl)carbonyl-piperidine-1-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-methyl-phenyl)-3-(5-fluoranyl-2-methoxy-phenyl)carbonyl-piperidine-1-carboxamide Openeye Name: (3S)-N-(3-chloro-4-methyl-phenyl)-3-(5-fluoro-2-methoxy-benzoyl)piperidine-1-carboxamide CAS Name: (3S)-N-(3-chloro-4-methylphenyl)-3-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-4-methylphenyl)-3-(5-fluoro-2-methoxybenzoyl)piperidine-1-carboxamide Traditional Name: (3S)-N-(3-chloro-4-methyl-phenyl)-3-(5-fluoro-2-methoxy-benzoyl)piperidine-1-carboxamide Formula: C21H22ClFN2O3 MolecularWeight: 404.862383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCC[C@@H](C2)C(=O)C3=C(C=CC(=C3)F)OC)Cl

InChI

InChI=1S/C21H22ClFN2O3/c1-13-5-7-16(11-18(13)22)24-21(27)25-9-3-4-14(12-25)20(26)17-10-15(23)6-8-19(17)28-2/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,24,27)/t14-/m0/s1