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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-pyridin-4-yl-benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-pyridyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-pyridin-4-ylbenzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-pyridyl)benzamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=NC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=NC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c1-12-17(23(25)26)13(2)22(21-12)11-14-3-5-15(6-4-14)18(24)20-16-7-9-19-10-8-16/h3-10H,11H2,1-2H3,(H,19,20,24)