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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-(3-methoxyphenyl)ethanamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-(3-methoxyphenyl)acetamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-(3-methoxyphenyl)acetamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-(3-methoxyphenyl)acetamide Traditional Name: N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)-2-(3-methoxyphenyl)acetamide Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC(=CC=C3)OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC(=CC=C3)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H28N2O6/c1-3-23-28(32)30(15-19-7-9-25-26(12-19)35-17-34-25)16-20-14-21(8-10-24(20)36-23)29-27(31)13-18-5-4-6-22(11-18)33-2/h4-12,14,23H,3,13,15-17H2,1-2H3,(H,29,31)