(3S)-N-(3-chloranyl-4-methoxy-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-methoxy-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-methoxy-phenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-methoxyphenyl)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-methoxy-phenyl)-1-(4-fluorobenzoyl)nipecotamide Formula: C20H20ClFN2O3 MolecularWeight: 390.835803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C20H20ClFN2O3/c1-27-18-9-8-16(11-17(18)21)23-19(25)14-3-2-10-24(12-14)20(26)13-4-6-15(22)7-5-13/h4-9,11,14H,2-3,10,12H2,1H3,(H,23,25)/t14-/m0/s1