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

Systemtic Name: 7-(azepan-1-yl)-6-[3,4-bis(fluoranyl)phenyl]-5-chloranyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 7-(azepan-1-yl)-5-chloro-6-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 7-(1-azepanyl)-5-chloro-6-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 7-(azepan-1-yl)-5-chloro-6-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 7-(azepan-1-yl)-5-chloro-6-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C17H16ClF2N5 MolecularWeight: 363.792246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClF2N5/c18-15-14(11-5-6-12(19)13(20)9-11)16(24-7-3-1-2-4-8-24)25-17(23-15)21-10-22-25/h5-6,9-10H,1-4,7-8H2