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

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C22H31N5O6 MolecularWeight: 461.51144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C(C)N3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C(C)N3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H31N5O6/c1-6-32-19-13-18(25-8-10-31-11-9-25)20(33-7-2)12-17(19)23-22(28)16(5)26-15(4)21(27(29)30)14(3)24-26/h12-13,16H,6-11H2,1-5H3,(H,23,28)