3-(2-pyridin-2-ylquinolin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Systemtic Name: 3-(2-pyridin-2-ylquinolin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Openeye Name: 3-[2-(2-pyridyl)-4-quinolyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine CAS Name: 3-[2-(2-pyridinyl)-4-quinolinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine IUPAC Name: 3-(2-pyridin-2-ylquinolin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Traditional Name: 3-[2-(2-pyridyl)-4-quinolyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepine Formula: C21H19N5 MolecularWeight: 341.40906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C21H19N5/c1-2-11-20-24-25-21(26(20)13-7-1)16-14-19(18-10-5-6-12-22-18)23-17-9-4-3-8-15(16)17/h3-6,8-10,12,14H,1-2,7,11,13H2