1-[4-(1,3-benzodioxol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol Traditional Name: 2-phenyl-1-(4-piperonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)ethanol Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=CC4=C(C=C3)OCO4)C=C(C=C2)C(CC5=CC=CC=C5)O

Isomeric SMILES

C1COC2=C(CN1CC3=CC4=C(C=C3)OCO4)C=C(C=C2)C(CC5=CC=CC=C5)O

InChI

InChI=1S/C25H25NO4/c27-22(12-18-4-2-1-3-5-18)20-7-9-23-21(14-20)16-26(10-11-28-23)15-19-6-8-24-25(13-19)30-17-29-24/h1-9,13-14,22,27H,10-12,15-17H2