2-(3-pentoxyphenyl)-[1,2,4]triazolo[5,1-a]isoquinoline

Systemtic Name: 2-(3-pentoxyphenyl)-[1,2,4]triazolo[5,1-a]isoquinoline Openeye Name: 2-(3-pentoxyphenyl)-[1,2,4]triazolo[5,1-a]isoquinoline CAS Name: 2-(3-pentoxyphenyl)-[1,2,4]triazolo[5,1-a]isoquinoline IUPAC Name: 2-(3-pentoxyphenyl)-[1,2,4]triazolo[5,1-a]isoquinoline Traditional Name: 2-(3-amoxyphenyl)-[1,2,4]triazol[5,1-a]isoquinoline Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C2=NN3C=CC4=CC=CC=C4C3=N2

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C2=NN3C=CC4=CC=CC=C4C3=N2

InChI

InChI=1S/C21H21N3O/c1-2-3-6-14-25-18-10-7-9-17(15-18)20-22-21-19-11-5-4-8-16(19)12-13-24(21)23-20/h4-5,7-13,15H,2-3,6,14H2,1H3