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

Systemtic Name: 1-methyl-N3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-methyl-N3-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine CAS Name: 1-methyl-N3-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-methyl-3-N-[3-[3-(piperidin-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-(piperidinomethyl)phenoxy]propyl]amine Formula: C18H28N6O MolecularWeight: 344.45452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)NCCCOC2=CC=CC(=C2)CN3CCCCC3)N

Isomeric SMILES

CN1C(=NC(=N1)NCCCOC2=CC=CC(=C2)CN3CCCCC3)N

InChI

InChI=1S/C18H28N6O/c1-23-17(19)21-18(22-23)20-9-6-12-25-16-8-5-7-15(13-16)14-24-10-3-2-4-11-24/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H3,19,20,21,22)