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

Systemtic Name: (phenylmethyl) N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]carbamate Openeye Name: benzyl N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]carbamate CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]carbamate Traditional Name: N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)carbamic acid benzyl ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)OCC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)OCC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N2O6/c1-2-22-26(30)29(14-19-8-10-24-25(12-19)34-17-33-24)15-20-13-21(9-11-23(20)35-22)28-27(31)32-16-18-6-4-3-5-7-18/h3-13,22H,2,14-17H2,1H3,(H,28,31)