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

Systemtic Name: 1-[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(3-chloro-4-fluoro-phenyl)acryloyl]isonipecotamide Formula: C22H22ClFN2O2 MolecularWeight: 400.873683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C=CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)/C=C/C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H22ClFN2O2/c23-19-14-16(6-8-20(19)24)7-9-21(27)26-12-10-18(11-13-26)22(28)25-15-17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2,(H,25,28)/b9-7+