2-[5-(2-fluorophenyl)-1-(2-methylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanal

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2C(OC(C1=O)CC=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2C(OC(C1=O)CC=O)C3=CC=CC=C3F

InChI

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