4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-(1-ethyl-5-morpholin-4-ylcarbonyl-pyrazol-4-yl)benzamide

Systemtic Name: 4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-(1-ethyl-5-morpholin-4-ylcarbonyl-pyrazol-4-yl)benzamide Openeye Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide CAS Name: 4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-N-[1-ethyl-5-[4-morpholinyl(oxo)methyl]-4-pyrazolyl]benzamide IUPAC Name: 4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide Traditional Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide Formula: C21H22ClN7O5 MolecularWeight: 487.89628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl)C(=O)N4CCOCC4

Isomeric SMILES

CCN1C(=C(C=N1)NC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl)C(=O)N4CCOCC4

InChI

InChI=1S/C21H22ClN7O5/c1-2-28-18(21(31)26-7-9-34-10-8-26)17(11-23-28)24-20(30)15-5-3-14(4-6-15)12-27-13-16(22)19(25-27)29(32)33/h3-6,11,13H,2,7-10,12H2,1H3,(H,24,30)