5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(phenylmethyl)pyrazol-3-yl]furan-2-carboxamide

Systemtic Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(phenylmethyl)pyrazol-3-yl]furan-2-carboxamide Openeye Name: N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[1-(phenylmethyl)-3-pyrazolyl]-2-furancarboxamide IUPAC Name: N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-furamide Formula: C21H20N6O4 MolecularWeight: 420.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=NN(C=C3)CC4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=NN(C=C3)CC4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4/c1-14-20(27(29)30)15(2)26(23-14)13-17-8-9-18(31-17)21(28)22-19-10-11-25(24-19)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,24,28)