bis[3-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanone

Systemtic Name: bis[3-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanone Openeye Name: bis[3-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanone CAS Name: bis[3-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanone IUPAC Name: bis[3-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanone Traditional Name: bis[3-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanone Formula: C21H20N6O3 MolecularWeight: 404.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C2(N=CN=N2)C(=O)C3(N=CN=N3)C(C4=CC=CC=C4)OC

Isomeric SMILES

COC(C1=CC=CC=C1)C2(N=CN=N2)C(=O)C3(N=CN=N3)C(C4=CC=CC=C4)OC

InChI

InChI=1S/C21H20N6O3/c1-29-17(15-9-5-3-6-10-15)20(22-13-24-26-20)19(28)21(23-14-25-27-21)18(30-2)16-11-7-4-8-12-16/h3-14,17-18H,1-2H3