3-(3-bromophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(3-bromophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-isoxazoline-5-carboxamide Formula: C26H21BrN4O2 MolecularWeight: 501.37454

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21BrN4O2/c27-21-11-7-10-19(14-21)23-15-24(33-30-23)26(32)28-16-20-17-31(22-12-5-2-6-13-22)29-25(20)18-8-3-1-4-9-18/h1-14,17,24H,15-16H2,(H,28,32)