1-[3-(1,3-benzodioxol-5-yl)-4-tert-butyl-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-4-tert-butyl-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-4-tert-butyl-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-4-tert-butyl-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-4-tert-butyl-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-4-tert-butyl-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(N1C(C)(C)C)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN(C(N1C(C)(C)C)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3/c1-14(25)19-22-24(16-8-6-5-7-9-16)20(23(19)21(2,3)4)15-10-11-17-18(12-15)27-13-26-17/h5-12,20H,13H2,1-4H3