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

Systemtic Name: 2-(2-fluorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide Openeye Name: 2-(2-fluorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide CAS Name: 2-(2-fluorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide IUPAC Name: 2-(2-fluorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide Traditional Name: 2-(2-fluorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]acetamide Formula: C21H21FN4O MolecularWeight: 364.416043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4F

InChI

InChI=1S/C21H21FN4O/c22-18-7-4-3-6-16(18)14-20(27)23-17-11-9-15(10-12-17)21-25-24-19-8-2-1-5-13-26(19)21/h3-4,6-7,9-12H,1-2,5,8,13-14H2,(H,23,27)