3-(3-bromophenyl)-N-[1-(4-butan-2-ylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(3-bromophenyl)-N-[1-(4-butan-2-ylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-[1-(4-sec-butylphenyl)ethyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-[1-(4-butan-2-ylphenyl)ethyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-[1-(4-butan-2-ylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-[1-(4-sec-butylphenyl)ethyl]-2-isoxazoline-5-carboxamide Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H25BrN2O2/c1-4-14(2)16-8-10-17(11-9-16)15(3)24-22(26)21-13-20(25-27-21)18-6-5-7-19(23)12-18/h5-12,14-15,21H,4,13H2,1-3H3,(H,24,26)