2-(3-chloranylphenoxy)-1-[7-(2-methyl-1-oxidanyl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

Systemtic Name: 2-(3-chloranylphenoxy)-1-[7-(2-methyl-1-oxidanyl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 2-(3-chlorophenoxy)-1-[7-(1-hydroxy-2-methyl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 2-(3-chlorophenoxy)-1-[7-(1-hydroxy-2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 2-(3-chlorophenoxy)-1-[7-(1-hydroxy-2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 2-(3-chlorophenoxy)-1-[7-(1-hydroxy-2-methyl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCN(C2)C(=O)C(C)OC3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCN(C2)C(=O)C(C)OC3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C22H26ClNO4/c1-14(2)21(25)16-7-8-20-17(11-16)13-24(9-10-27-20)22(26)15(3)28-19-6-4-5-18(23)12-19/h4-8,11-12,14-15,21,25H,9-10,13H2,1-3H3