4-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-N-(furan-2-ylmethyl)-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-N-(furan-2-ylmethyl)-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-N-(2-furylmethyl)-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-N-(2-furanylmethyl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide Traditional Name: 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-N-(2-furfuryl)-1-methyl-pyrazole-3-carboxamide Formula: C16H17BrN6O3 MolecularWeight: 421.24858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C=C(C=N3)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C=C(C=N3)Br

InChI

InChI=1S/C16H17BrN6O3/c1-22-10-13(20-14(24)4-5-23-9-11(17)7-19-23)15(21-22)16(25)18-8-12-3-2-6-26-12/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,18,25)(H,20,24)