2-[3-(3-methylbutoxy)phenyl]-5H-[1,2,4]triazolo[5,1-a]isoindole

Systemtic Name: 2-[3-(3-methylbutoxy)phenyl]-5H-[1,2,4]triazolo[5,1-a]isoindole Openeye Name: 2-(3-isopentyloxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole CAS Name: 2-[3-(3-methylbutoxy)phenyl]-5H-[1,2,4]triazolo[5,1-a]isoindole IUPAC Name: 2-[3-(3-methylbutoxy)phenyl]-5H-[1,2,4]triazolo[5,1-a]isoindole Traditional Name: 2-(3-isoamoxyphenyl)-5H-[1,2,4]triazol[5,1-a]isoindole Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C2=NN3CC4=CC=CC=C4C3=N2

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C2=NN3CC4=CC=CC=C4C3=N2

InChI

InChI=1S/C20H21N3O/c1-14(2)10-11-24-17-8-5-7-15(12-17)19-21-20-18-9-4-3-6-16(18)13-23(20)22-19/h3-9,12,14H,10-11,13H2,1-2H3