N-[5-(6H-benzo[b][1,4]benzoxazepin-5-ylcarbonyl)pyridin-2-yl]-3-fluoranyl-2-methyl-benzamide

Systemtic Name: N-[5-(6H-benzo[b][1,4]benzoxazepin-5-ylcarbonyl)pyridin-2-yl]-3-fluoranyl-2-methyl-benzamide Openeye Name: N-[5-(6H-benzo[b][1,4]benzoxazepine-5-carbonyl)-2-pyridyl]-3-fluoro-2-methyl-benzamide CAS Name: N-[5-[6H-benzo[b][1,4]benzoxazepin-5-yl(oxo)methyl]-2-pyridinyl]-3-fluoro-2-methylbenzamide IUPAC Name: N-[5-(6H-benzo[b][1,4]benzoxazepine-5-carbonyl)pyridin-2-yl]-3-fluoro-2-methylbenzamide Traditional Name: N-[5-(6H-benzo[b][1,4]benzoxazepine-5-carbonyl)-2-pyridyl]-3-fluoro-2-methyl-benzamide Formula: C27H20FN3O3 MolecularWeight: 453.464403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)C(=O)NC2=NC=C(C=C2)C(=O)N3CC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC1=C(C=CC=C1F)C(=O)NC2=NC=C(C=C2)C(=O)N3CC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C27H20FN3O3/c1-17-20(8-6-9-21(17)28)26(32)30-25-14-13-18(15-29-25)27(33)31-16-19-7-2-4-11-23(19)34-24-12-5-3-10-22(24)31/h2-15H,16H2,1H3,(H,29,30,32)