3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide

Systemtic Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide Openeye Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide CAS Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide IUPAC Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide Traditional Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]propionamide Formula: C24H23FN6O2 MolecularWeight: 446.476823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CCC4=NC(=NO4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CCC4=NC(=NO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H23FN6O2/c25-18-10-8-16(9-11-18)23-27-22(33-30-23)13-12-21(32)26-19-6-4-5-17(15-19)24-29-28-20-7-2-1-3-14-31(20)24/h4-6,8-11,15H,1-3,7,12-14H2,(H,26,32)