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

Systemtic Name: 1-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine CAS Name: 1-[3-[3-(1-azepanylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-yl]amine Formula: C18H28N6O MolecularWeight: 344.45452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCN3C(=NC(=N3)N)N

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCN3C(=NC(=N3)N)N

InChI

InChI=1S/C18H28N6O/c19-17-21-18(20)24(22-17)11-6-12-25-16-8-5-7-15(13-16)14-23-9-3-1-2-4-10-23/h5,7-8,13H,1-4,6,9-12,14H2,(H4,19,20,21,22)