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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-chloranyl-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-chloro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-chlorobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-chlorobenzamide Traditional Name: 2-chloro-N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C26H23ClN2O5 MolecularWeight: 478.92422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23ClN2O5/c1-2-21-26(31)29(13-16-7-9-23-24(11-16)33-15-32-23)14-17-12-18(8-10-22(17)34-21)28-25(30)19-5-3-4-6-20(19)27/h3-12,21H,2,13-15H2,1H3,(H,28,30)