N-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-2-methyl-1,2,4-triazol-3-amine

Systemtic Name: N-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-2-methyl-1,2,4-triazol-3-amine Openeye Name: N-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-2-methyl-1,2,4-triazol-3-amine CAS Name: N-[3-[3-(1-azepanylmethyl)phenoxy]propyl]-2-methyl-1,2,4-triazol-3-amine IUPAC Name: N-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-2-methyl-1,2,4-triazol-3-amine Traditional Name: 3-[3-(azepan-1-ylmethyl)phenoxy]propyl-(2-methyl-1,2,4-triazol-3-yl)amine Formula: C19H29N5O MolecularWeight: 343.46646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)NCCCOC2=CC=CC(=C2)CN3CCCCCC3

Isomeric SMILES

CN1C(=NC=N1)NCCCOC2=CC=CC(=C2)CN3CCCCCC3

InChI

InChI=1S/C19H29N5O/c1-23-19(21-16-22-23)20-10-7-13-25-18-9-6-8-17(14-18)15-24-11-4-2-3-5-12-24/h6,8-9,14,16H,2-5,7,10-13,15H2,1H3,(H,20,21,22)