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

Systemtic Name: (3S)-1-[(E)-3-(4-bromophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(4-bromophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(4-bromophenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(4-bromophenyl)acryloyl]-N-phenyl-nipecotamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O2/c22-18-11-8-16(9-12-18)10-13-20(25)24-14-4-5-17(15-24)21(26)23-19-6-2-1-3-7-19/h1-3,6-13,17H,4-5,14-15H2,(H,23,26)/b13-10+/t17-/m0/s1