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

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(3-acetamido-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H20FN5O4 MolecularWeight: 425.413003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O4/c1-12-20(27(30)31)13(2)26(25-12)11-15-4-6-16(7-5-15)21(29)24-17-8-9-18(22)19(10-17)23-14(3)28/h4-10H,11H2,1-3H3,(H,23,28)(H,24,29)