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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenyl-acetamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide Traditional Name: N-(3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)-2-phenyl-acetamide Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O5/c28-24(11-17-4-2-1-3-5-17)26-20-7-9-21-19(12-20)14-27(25(29)15-30-21)13-18-6-8-22-23(10-18)32-16-31-22/h1-10,12H,11,13-16H2,(H,26,28)