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

Systemtic Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide Openeye Name: 1-ethyl-N-(2-furylmethyl)-4-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide CAS Name: 1-ethyl-N-(2-furanylmethyl)-4-[[3-(4-iodo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide Traditional Name: 1-ethyl-N-(2-furfuryl)-4-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide Formula: C18H21IN6O3 MolecularWeight: 496.30221

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C(=C(C=N3)I)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C(=C(C=N3)I)C

InChI

InChI=1S/C18H21IN6O3/c1-3-24-11-15(17(23-24)18(27)20-9-13-5-4-8-28-13)22-16(26)6-7-25-12(2)14(19)10-21-25/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,20,27)(H,22,26)