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

Systemtic Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-fluoro-benzamide CAS Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-fluorobenzamide IUPAC Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-fluorobenzamide Traditional Name: N-[2-ethyl-4-(4-fluorobenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]-3-fluoro-benzamide Formula: C25H22F2N2O3 MolecularWeight: 436.450586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22F2N2O3/c1-2-22-25(31)29(14-16-6-8-19(26)9-7-16)15-18-13-21(10-11-23(18)32-22)28-24(30)17-4-3-5-20(27)12-17/h3-13,22H,2,14-15H2,1H3,(H,28,30)