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

Systemtic Name: 4-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-N-(furan-2-ylmethyl)-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-N-(2-furylmethyl)-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]-N-(2-furanylmethyl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide Traditional Name: 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-N-(2-furfuryl)-1-methyl-pyrazole-3-carboxamide Formula: C17H19BrN6O3 MolecularWeight: 435.27516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1C(=O)NCC2=CC=CO2)C)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1C(=O)NCC2=CC=CO2)C)N3C=C(C=N3)Br

InChI

InChI=1S/C17H19BrN6O3/c1-3-14(24-9-11(18)7-20-24)16(25)21-13-10-23(2)22-15(13)17(26)19-8-12-5-4-6-27-12/h4-7,9-10,14H,3,8H2,1-2H3,(H,19,26)(H,21,25)