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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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