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

Systemtic Name: N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-(phenylcarbonyl)benzamide Openeye Name: 2-benzoyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide CAS Name: 2-benzoyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide IUPAC Name: 2-benzoyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Traditional Name: 2-benzoyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]benzamide Formula: C27H23FN4O2 MolecularWeight: 454.495523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5)F

InChI

InChI=1S/C27H23FN4O2/c28-23-15-14-19(17-22(23)26-31-30-24-13-5-2-8-16-32(24)26)29-27(34)21-12-7-6-11-20(21)25(33)18-9-3-1-4-10-18/h1,3-4,6-7,9-12,14-15,17H,2,5,8,13,16H2,(H,29,34)