1-methyl-N3-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-methyl-N3-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-methyl-N3-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine CAS Name: 1-methyl-N3-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-methyl-3-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1-methyl-1,2,4-triazol-3-yl)-[3-[3-(pyrrolidinomethyl)phenoxy]propyl]amine Formula: C17H26N6O MolecularWeight: 330.42794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)NCCCOC2=CC=CC(=C2)CN3CCCC3)N

Isomeric SMILES

CN1C(=NC(=N1)NCCCOC2=CC=CC(=C2)CN3CCCC3)N

InChI

InChI=1S/C17H26N6O/c1-22-16(18)20-17(21-22)19-8-5-11-24-15-7-4-6-14(12-15)13-23-9-2-3-10-23/h4,6-7,12H,2-3,5,8-11,13H2,1H3,(H3,18,19,20,21)