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

Systemtic Name: 3-(3-bromophenyl)-N-[1-(phenylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-(1-benzylpyrazol-3-yl)-3-(3-bromophenyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-[1-(phenylmethyl)-3-pyrazolyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-(1-benzylpyrazol-3-yl)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-(1-benzylpyrazol-3-yl)-3-(3-bromophenyl)-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=NN(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NC3=NN(C=C3)CC4=CC=CC=C4

InChI

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