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

Systemtic Name: 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide Openeye Name: 2-[2-(4-fluorophenyl)thiazol-4-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide CAS Name: 2-[2-(4-fluorophenyl)-4-thiazolyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide IUPAC Name: 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide Traditional Name: 2-[2-(4-fluorophenyl)thiazol-4-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]acetamide Formula: C24H22FN5OS MolecularWeight: 447.527783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)CC4=CSC(=N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)CC4=CSC(=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H22FN5OS/c25-18-9-5-17(6-10-18)24-27-20(15-32-24)14-22(31)26-19-11-7-16(8-12-19)23-29-28-21-4-2-1-3-13-30(21)23/h5-12,15H,1-4,13-14H2,(H,26,31)