[5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone IUPAC Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C23H25N3O4/c1-5-12-28-22-24-20(16-8-11-18-19(13-16)30-14-29-18)26(25-22)21(27)15-6-9-17(10-7-15)23(2,3)4/h6-11,13H,5,12,14H2,1-4H3