5-phenethyl-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-phenethyl-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-phenethyl-N-[4-[3-(1-piperidylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-phenethyl-N-[4-[3-(1-piperidinylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-phenethyl-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine Traditional Name: (5-phenethyl-1H-1,2,4-triazol-3-yl)-[4-[3-(piperidinomethyl)phenoxy]butyl]amine Formula: C26H35N5O MolecularWeight: 433.589

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCCNC3=NNC(=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCCNC3=NNC(=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H35N5O/c1-3-10-22(11-4-1)14-15-25-28-26(30-29-25)27-16-5-8-19-32-24-13-9-12-23(20-24)21-31-17-6-2-7-18-31/h1,3-4,9-13,20H,2,5-8,14-19,21H2,(H2,27,28,29,30)