N3-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-ethyl-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-ethyl-1,2,4-triazole-3,5-diamine Openeye Name: N3-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-ethyl-1,2,4-triazole-3,5-diamine CAS Name: N3-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-ethyl-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-ethyl-1,2,4-triazole-3,5-diamine Traditional Name: [3-[3-[(5-amino-1-ethyl-1,2,4-triazol-3-yl)amino]propoxy]benzyl]-dimethyl-amine Formula: C16H26N6O MolecularWeight: 318.41724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=N1)NCCCOC2=CC=CC(=C2)CN(C)C)N

Isomeric SMILES

CCN1C(=NC(=N1)NCCCOC2=CC=CC(=C2)CN(C)C)N

InChI

InChI=1S/C16H26N6O/c1-4-22-15(17)19-16(20-22)18-9-6-10-23-14-8-5-7-13(11-14)12-21(2)3/h5,7-8,11H,4,6,9-10,12H2,1-3H3,(H3,17,18,19,20)