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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-fluoranyl-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-fluoro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-fluorobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-(3-keto-2-methyl-4-piperonyl-5H-1,4-benzoxazepin-7-yl)benzamide 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=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

InChI

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