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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O3/c1-4-8-15(14-9-6-5-7-10-14)18-16(22)11-20-13(3)17(21(23)24)12(2)19-20/h5-7,9-10,15H,4,8,11H2,1-3H3,(H,18,22)