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

Systemtic Name: 3-(3-bromophenyl)-N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-(3-bromophenyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-(3-bromophenyl)-2-isoxazoline-5-carboxamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H21BrN4O2/c1-14-21(15(2)27(25-14)13-16-7-4-3-5-8-16)24-22(28)20-12-19(26-29-20)17-9-6-10-18(23)11-17/h3-11,20H,12-13H2,1-2H3,(H,24,28)