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

Systemtic Name: 4-chloranyl-N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 4-chloro-N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: 4-chloro-N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 4-chloro-N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 4-chloro-N-[2-ethyl-4-(4-fluorobenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]benzamide Formula: C25H22ClFN2O3 MolecularWeight: 452.905183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H22ClFN2O3/c1-2-22-25(31)29(14-16-3-9-20(27)10-4-16)15-18-13-21(11-12-23(18)32-22)28-24(30)17-5-7-19(26)8-6-17/h3-13,22H,2,14-15H2,1H3,(H,28,30)