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

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]butanamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]butanamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]butanamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]butanamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]butyramide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-3-5-19(26)22-15-7-9-16(10-8-15)25-20(23-21(24-25)27-4-2)14-6-11-17-18(12-14)29-13-28-17/h6-12H,3-5,13H2,1-2H3,(H,22,26)