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

Systemtic Name: 4-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-N-phenyl-piperidine-1-carboxamide Formula: C21H21BrFN3O2 MolecularWeight: 446.312743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C=CC2=C(C=CC(=C2)Br)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)/C=C/C2=C(C=CC(=C2)Br)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21BrFN3O2/c22-16-7-8-19(23)15(14-16)6-9-20(27)24-18-10-12-26(13-11-18)21(28)25-17-4-2-1-3-5-17/h1-9,14,18H,10-13H2,(H,24,27)(H,25,28)/b9-6+