N-(4-cyano-2-phenyl-pyrazol-3-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C18H17N7O3 MolecularWeight: 379.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O3/c1-12-17(25(27)28)13(2)23(22-12)9-8-16(26)21-18-14(10-19)11-20-24(18)15-6-4-3-5-7-15/h3-7,11H,8-9H2,1-2H3,(H,21,26)