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

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-2-methyl-benzamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C

InChI

InChI=1S/C25H22N4O4/c1-3-31-25-27-23(17-8-13-21-22(14-17)33-15-32-21)29(28-25)19-11-9-18(10-12-19)26-24(30)20-7-5-4-6-16(20)2/h4-14H,3,15H2,1-2H3,(H,26,30)