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

Systemtic Name: N-(furan-2-ylmethyl)-1-methyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxamide Openeye Name: N-(2-furylmethyl)-1-methyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxamide CAS Name: N-(2-furanylmethyl)-1-methyl-4-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-pyrazolecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-methyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxamide Traditional Name: N-(2-furfuryl)-1-methyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxamide Formula: C17H19N7O5 MolecularWeight: 401.37666

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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)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1C(=O)NCC2=CC=CO2)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O5/c1-3-14(23-9-11(7-19-23)24(27)28)16(25)20-13-10-22(2)21-15(13)17(26)18-8-12-5-4-6-29-12/h4-7,9-10,14H,3,8H2,1-2H3,(H,18,26)(H,20,25)