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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2,4-dimorpholin-4-ylphenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2,4-dimorpholinophenyl)acetamide CAS Name: N-[2,4-bis(4-morpholinyl)phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2,4-dimorpholinophenyl)acetamide Formula: C21H28N6O5 MolecularWeight: 444.48422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O5/c1-15-21(27(29)30)16(2)26(23-15)14-20(28)22-18-4-3-17(24-5-9-31-10-6-24)13-19(18)25-7-11-32-12-8-25/h3-4,13H,5-12,14H2,1-2H3,(H,22,28)