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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-chloranyl-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-chloro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-chlorobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-chlorobenzamide Traditional Name: 4-chloro-N-(3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C24H19ClN2O5 MolecularWeight: 450.87106

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H19ClN2O5/c25-18-4-2-16(3-5-18)24(29)26-19-6-8-20-17(10-19)12-27(23(28)13-30-20)11-15-1-7-21-22(9-15)32-14-31-21/h1-10H,11-14H2,(H,26,29)