2-[5-[1-(2-fluorophenyl)-2-methyl-propyl]-2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-3-yl]ethanal

Systemtic Name: 2-[5-[1-(2-fluorophenyl)-2-methyl-propyl]-2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-3-yl]ethanal Openeye Name: 2-[5-[1-(2-fluorophenyl)-2-methyl-propyl]-2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl]acetaldehyde CAS Name: 2-[5-[1-(2-fluorophenyl)-2-methylpropyl]-2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl]acetaldehyde IUPAC Name: 2-[5-[1-(2-fluorophenyl)-2-methylpropyl]-2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl]acetaldehyde Traditional Name: 2-[5-[1-(2-fluorophenyl)-2-methyl-propyl]-2-keto-1,5-dihydro-4,1-benzoxazepin-3-yl]acetaldehyde Formula: C21H22FNO3 MolecularWeight: 355.402683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1C2=CC=CC=C2NC(=O)C(O1)CC=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)C(C1C2=CC=CC=C2NC(=O)C(O1)CC=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FNO3/c1-13(2)19(14-7-3-5-9-16(14)22)20-15-8-4-6-10-17(15)23-21(25)18(26-20)11-12-24/h3-10,12-13,18-20H,11H2,1-2H3,(H,23,25)