(3S)-1-[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(3-chloro-4-fluoro-phenyl)acryloyl]-N-phenyl-nipecotamide Formula: C21H20ClFN2O2 MolecularWeight: 386.847103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC(=C(C=C2)F)Cl)C(=O)NC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O2/c22-18-13-15(8-10-19(18)23)9-11-20(26)25-12-4-5-16(14-25)21(27)24-17-6-2-1-3-7-17/h1-3,6-11,13,16H,4-5,12,14H2,(H,24,27)/b11-9+/t16-/m0/s1