(3S)-1-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]-N-phenyl-nipecotamide Formula: C21H20ClFN2O2 MolecularWeight: 386.847103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=C(C=CC=C2Cl)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20ClFN2O2/c22-18-9-4-10-19(23)17(18)11-12-20(26)25-13-5-6-15(14-25)21(27)24-16-7-2-1-3-8-16/h1-4,7-12,15H,5-6,13-14H2,(H,24,27)/b12-11+/t15-/m0/s1