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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)-5-nitro-1,2,4-triazol-3-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-N-(2-morpholinoethyl)-5-nitro-1,2,4-triazol-3-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-N-[2-(4-morpholinyl)ethyl]-5-nitro-1,2,4-triazol-3-amine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)-5-nitro-1,2,4-triazol-3-amine Traditional Name: (2-methyl-5-nitro-1,2,4-triazol-3-yl)-(2-morpholinoethyl)-veratryl-amine Formula: C18H26N6O5 MolecularWeight: 406.43624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])N(CCN2CCOCC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])N(CCN2CCOCC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H26N6O5/c1-21-18(19-17(20-21)24(25)26)23(7-6-22-8-10-29-11-9-22)13-14-4-5-15(27-2)16(12-14)28-3/h4-5,12H,6-11,13H2,1-3H3