N-(3-bromanyl-5-chloranyl-2-ethoxy-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-bromanyl-5-chloranyl-2-ethoxy-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-(3-bromo-5-chloro-2-ethoxy-phenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: N-(3-bromo-5-chloro-2-ethoxy-phenyl)-1-(4-fluorobenzoyl)nipecotamide Formula: C21H21BrClFN2O3 MolecularWeight: 483.758443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)Cl)Br

InChI

InChI=1S/C21H21BrClFN2O3/c1-2-29-19-17(22)10-15(23)11-18(19)25-20(27)14-4-3-9-26(12-14)21(28)13-5-7-16(24)8-6-13/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,25,27)