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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C26H24N2O5 MolecularWeight: 444.47916

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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)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O5/c1-2-21-26(30)28(14-17-8-10-23-24(12-17)32-16-31-23)15-19-13-20(9-11-22(19)33-21)27-25(29)18-6-4-3-5-7-18/h3-13,21H,2,14-16H2,1H3,(H,27,29)