1-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]-N-(2-methoxyphenyl)isonipecotamide Formula: C21H23BrFN3O3 MolecularWeight: 464.328023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H23BrFN3O3/c1-29-19-5-3-2-4-18(19)25-21(28)14-8-10-26(11-9-14)13-20(27)24-17-7-6-15(22)12-16(17)23/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)(H,25,28)