N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-2-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O3/c1-2-26-21(19(14-24-26)28(30)31)22(29)23-13-17-15-27(18-11-7-4-8-12-18)25-20(17)16-9-5-3-6-10-16/h3-12,14-15H,2,13H2,1H3,(H,23,29)