N-[3-(4-bromanylpyrazol-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-5-(4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C17H17BrN4O2 MolecularWeight: 389.24648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCN3C=C(C=N3)Br

InChI

InChI=1S/C17H17BrN4O2/c1-12-3-5-13(6-4-12)16-9-15(21-24-16)17(23)19-7-2-8-22-11-14(18)10-20-22/h3-6,9-11H,2,7-8H2,1H3,(H,19,23)