1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone IUPAC Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone Traditional Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenyl-ethanone Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)CC)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)CC)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2/c1-3-5-20-33-28-29-26(24-18-16-21(4-2)17-19-24)31(30-28)27(32)25(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-19,25H,3-5,20H2,1-2H3