2-chloranyl-N-[4-[(4-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-[4-[(4-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[4-(4-fluorobenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]nicotinamide Formula: C22H17ClFN3O3 MolecularWeight: 425.840083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)OCC(=O)N1CC4=CC=C(C=C4)F

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)OCC(=O)N1CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17ClFN3O3/c23-21-18(2-1-9-25-21)22(29)26-17-7-8-19-15(10-17)12-27(20(28)13-30-19)11-14-3-5-16(24)6-4-14/h1-10H,11-13H2,(H,26,29)