N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-2-isoxazoline-5-carboxamide Formula: C20H21BrN6O2 MolecularWeight: 457.32374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=CC=C(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=CC=C(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C20H21BrN6O2/c1-3-26-12-17(13(2)24-26)18-8-19(29-25-18)20(28)23-16-6-4-14(5-7-16)10-27-11-15(21)9-22-27/h4-7,9,11-12,19H,3,8,10H2,1-2H3,(H,23,28)