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

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]pentanamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]pentanamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]pentanamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]pentanamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]valeramide Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-3-5-6-20(27)23-16-8-10-17(11-9-16)26-21(24-22(25-26)28-4-2)15-7-12-18-19(13-15)30-14-29-18/h7-13H,3-6,14H2,1-2H3,(H,23,27)