2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-phenylbutan-2-yl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(C)CCC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC(C)CCC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-12(9-10-15-7-5-4-6-8-15)18-16(22)11-20-14(3)17(21(23)24)13(2)19-20/h4-8,12H,9-11H2,1-3H3,(H,18,22)