N-[(3,4-diethoxyphenyl)methyl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C21H26N6O5/c1-5-31-18-8-7-16(11-19(18)32-6-2)12-22-21(28)17-9-10-25(24-17)13-26-15(4)20(27(29)30)14(3)23-26/h7-11H,5-6,12-13H2,1-4H3,(H,22,28)