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

Systemtic Name: N-(furan-2-ylmethyl)-4-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(2-furylmethyl)-4-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: N-(2-furanylmethyl)-4-[[3-(4-iodo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-4-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]-1-methylpyrazole-3-carboxamide Traditional Name: N-(2-furfuryl)-4-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C17H19IN6O3 MolecularWeight: 482.27563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCC(=O)NC2=CN(N=C2C(=O)NCC3=CC=CO3)C)I

Isomeric SMILES

CC1=C(C=NN1CCC(=O)NC2=CN(N=C2C(=O)NCC3=CC=CO3)C)I

InChI

InChI=1S/C17H19IN6O3/c1-11-13(18)9-20-24(11)6-5-15(25)21-14-10-23(2)22-16(14)17(26)19-8-12-4-3-7-27-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,19,26)(H,21,25)