(3S)-1-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]-N-phenyl-nipecotamide Formula: C21H20BrFN2O2 MolecularWeight: 431.298103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrFN2O2/c22-17-9-10-19(23)15(13-17)8-11-20(26)25-12-4-5-16(14-25)21(27)24-18-6-2-1-3-7-18/h1-3,6-11,13,16H,4-5,12,14H2,(H,24,27)/b11-8+/t16-/m0/s1