N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[3-ethoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[3-ethoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]phenyl]-piperonylamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=CC=C2C)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=CC=C2C)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

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