5-[[(2-bromophenyl)carbonyl-phenethyl-amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[[(2-bromophenyl)carbonyl-phenethyl-amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[(2-bromobenzoyl)-phenethyl-amino]methyl]-N-[(4-fluorophenyl)methyl]isoxazole-3-carboxamide CAS Name: 5-[[[(2-bromophenyl)-oxomethyl]-phenethylamino]methyl]-N-[(4-fluorophenyl)methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[[(2-bromobenzoyl)-phenethylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(2-bromobenzoyl)-phenethyl-amino]methyl]-N-(4-fluorobenzyl)isoxazole-3-carboxamide Formula: C27H23BrFN3O3 MolecularWeight: 536.392223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC(=NO2)C(=O)NCC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC(=NO2)C(=O)NCC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C27H23BrFN3O3/c28-24-9-5-4-8-23(24)27(34)32(15-14-19-6-2-1-3-7-19)18-22-16-25(31-35-22)26(33)30-17-20-10-12-21(29)13-11-20/h1-13,16H,14-15,17-18H2,(H,30,33)