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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenyl-acetamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide Traditional Name: N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)-2-phenyl-acetamide Formula: C27H26N2O5 MolecularWeight: 458.50574

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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)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O5/c1-2-22-27(31)29(15-19-8-10-24-25(12-19)33-17-32-24)16-20-14-21(9-11-23(20)34-22)28-26(30)13-18-6-4-3-5-7-18/h3-12,14,22H,2,13,15-17H2,1H3,(H,28,30)