N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-5-nitro-1,2,4-triazol-3-amine

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-5-nitro-1,2,4-triazol-3-amine Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-morpholinopropyl)-5-nitro-1,2,4-triazol-3-amine CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-N-[3-(4-morpholinyl)propyl]-5-nitro-1,2,4-triazol-3-amine IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-5-nitro-1,2,4-triazol-3-amine Traditional Name: (2,5-dimethoxybenzyl)-(2-methyl-5-nitro-1,2,4-triazol-3-yl)-(3-morpholinopropyl)amine Formula: C19H28N6O5 MolecularWeight: 420.46282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])N(CCCN2CCOCC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])N(CCCN2CCOCC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C19H28N6O5/c1-22-19(20-18(21-22)25(26)27)24(8-4-7-23-9-11-30-12-10-23)14-15-13-16(28-2)5-6-17(15)29-3/h5-6,13H,4,7-12,14H2,1-3H3