2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[1-(2-morpholinoethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 2-methyl-N-[1-[2-(4-morpholinyl)ethyl]-2-benzimidazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 2-methyl-N-[1-(2-morpholinoethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide Formula: C18H21N7O4 MolecularWeight: 399.40384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3N2CCN4CCOCC4

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3N2CCN4CCOCC4

InChI

InChI=1S/C18H21N7O4/c1-22-16(15(12-19-22)25(27)28)17(26)21-18-20-13-4-2-3-5-14(13)24(18)7-6-23-8-10-29-11-9-23/h2-5,12H,6-11H2,1H3,(H,20,21,26)