3-azanyl-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-azanyl-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-amino-4-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1H-1,2,4-triazol-5-one CAS Name: 3-amino-4-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-amino-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-amino-4-[3-[3-(piperidinomethyl)phenoxy]propyl]-1H-1,2,4-triazol-5-one Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCN3C(=NNC3=O)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCN3C(=NNC3=O)N

InChI

InChI=1S/C17H25N5O2/c18-16-19-20-17(23)22(16)10-5-11-24-15-7-4-6-14(12-15)13-21-8-2-1-3-9-21/h4,6-7,12H,1-3,5,8-11,13H2,(H2,18,19)(H,20,23)