6-(azepan-1-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

Systemtic Name: 6-(azepan-1-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine Openeye Name: 6-(azepan-1-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine CAS Name: 6-(1-azepanyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine IUPAC Name: 6-(azepan-1-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine Traditional Name: 6-(azepan-1-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine Formula: C17H19N5 MolecularWeight: 293.36626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN3C(=NN=C3C4=CC=CC=C4)C=C2

Isomeric SMILES

C1CCCN(CC1)C2=NN3C(=NN=C3C4=CC=CC=C4)C=C2

InChI

InChI=1S/C17H19N5/c1-2-7-13-21(12-6-1)16-11-10-15-18-19-17(22(15)20-16)14-8-4-3-5-9-14/h3-5,8-11H,1-2,6-7,12-13H2