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

Systemtic Name: (phenylmethyl) N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]carbamate Openeye Name: benzyl N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]carbamate CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]carbamate Traditional Name: N-(3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)carbamic acid benzyl ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O6/c28-24-15-30-21-9-7-20(26-25(29)31-14-17-4-2-1-3-5-17)11-19(21)13-27(24)12-18-6-8-22-23(10-18)33-16-32-22/h1-11H,12-16H2,(H,26,29)