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

Systemtic Name: N-[4-[(4-fluorophenyl)methyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-fluorobenzyl)-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl]-piperonylamide Formula: C25H21FN2O5 MolecularWeight: 448.443043

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)F

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN2O5/c1-15-25(30)28(12-16-2-5-19(26)6-3-16)13-18-10-20(7-9-21(18)33-15)27-24(29)17-4-8-22-23(11-17)32-14-31-22/h2-11,15H,12-14H2,1H3,(H,27,29)