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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide Formula: C27H23F3N2O5 MolecularWeight: 512.47713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23F3N2O5/c1-2-21-26(34)32(13-16-3-9-23-24(11-16)36-15-35-23)14-18-12-20(8-10-22(18)37-21)31-25(33)17-4-6-19(7-5-17)27(28,29)30/h3-12,21H,2,13-15H2,1H3,(H,31,33)