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

Systemtic Name: 5-chloranyl-2-methyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine Openeye Name: 5-chloro-2-methyl-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine CAS Name: 5-chloro-2-methyl-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine IUPAC Name: 5-chloro-2-methyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine Traditional Name: (5-chloro-2-methyl-1,2,4-triazol-3-yl)-[3-[3-(piperidinomethyl)phenoxy]propyl]amine Formula: C18H26ClN5O MolecularWeight: 363.88494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN5O/c1-23-18(21-17(19)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,(H,20,21,22)