4-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: 4-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide Openeye Name: 4-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-furylmethyl)pyrazole-3-carboxamide CAS Name: 4-[[2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-1-ethyl-N-(2-furanylmethyl)-3-pyrazolecarboxamide IUPAC Name: 4-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide Traditional Name: 4-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-furfuryl)pyrazole-3-carboxamide Formula: C18H21BrN6O3 MolecularWeight: 449.30174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C(C)N3C(=C(C=N3)Br)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C(C)N3C(=C(C=N3)Br)C

InChI

InChI=1S/C18H21BrN6O3/c1-4-24-10-15(16(23-24)18(27)20-8-13-6-5-7-28-13)22-17(26)12(3)25-11(2)14(19)9-21-25/h5-7,9-10,12H,4,8H2,1-3H3,(H,20,27)(H,22,26)