3-(3-bromophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(3-bromophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-[3-(1-pyrazolylmethyl)phenyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-isoxazoline-5-carboxamide Formula: C20H17BrN4O2 MolecularWeight: 425.27858

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C20H17BrN4O2/c21-16-6-2-5-15(11-16)18-12-19(27-24-18)20(26)23-17-7-1-4-14(10-17)13-25-9-3-8-22-25/h1-11,19H,12-13H2,(H,23,26)