(3S)-N-(5-acetamido-2-fluoranyl-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(5-acetamido-2-fluoranyl-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(5-acetamido-2-fluoro-phenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-N-(5-acetamido-2-fluorophenyl)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(5-acetamido-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(5-acetamido-2-fluoro-phenyl)-1-(4-fluorobenzoyl)nipecotamide Formula: C21H21F2N3O3 MolecularWeight: 401.406546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21F2N3O3/c1-13(27)24-17-8-9-18(23)19(11-17)25-20(28)15-3-2-10-26(12-15)21(29)14-4-6-16(22)7-5-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,24,27)(H,25,28)/t15-/m0/s1