N-(3-morpholin-4-ylpropyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-morpholinopropyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-morpholinopropyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C14H20N8O4 MolecularWeight: 364.3598

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H20N8O4/c23-13(15-3-1-4-19-6-8-26-9-7-19)12-2-5-20(17-12)11-21-10-16-14(18-21)22(24)25/h2,5,10H,1,3-4,6-9,11H2,(H,15,23)