7-(azepan-1-yl)-5-chloranyl-6-[2,3,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 7-(azepan-1-yl)-5-chloranyl-6-[2,3,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 7-(azepan-1-yl)-5-chloro-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 7-(1-azepanyl)-5-chloro-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 7-(azepan-1-yl)-5-chloro-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 7-(azepan-1-yl)-5-chloro-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C17H15ClF3N5 MolecularWeight: 381.78271

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC3=NC=NN23)Cl)C4=C(C=CC(=C4F)F)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC3=NC=NN23)Cl)C4=C(C=CC(=C4F)F)F

InChI

InChI=1S/C17H15ClF3N5/c18-15-13(12-10(19)5-6-11(20)14(12)21)16(25-7-3-1-2-4-8-25)26-17(24-15)22-9-23-26/h5-6,9H,1-4,7-8H2