N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]octanamide

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]octanamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]octanamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]octanamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]octanamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]caprylamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=C(C=C1)N2C(=NC(=N2)OCC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=C(C=C1)N2C(=NC(=N2)OCC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H30N4O4/c1-3-5-6-7-8-9-23(30)26-19-11-13-20(14-12-19)29-24(27-25(28-29)31-4-2)18-10-15-21-22(16-18)33-17-32-21/h10-16H,3-9,17H2,1-2H3,(H,26,30)