4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide Openeye Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide CAS Name: 4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-N-[(1,5-dimethyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=NN1C)CNC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN6O3/c1-11-14(8-20-22(11)2)7-19-17(25)13-5-3-12(4-6-13)9-23-10-15(18)16(21-23)24(26)27/h3-6,8,10H,7,9H2,1-2H3,(H,19,25)