1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea Openeye Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea Traditional Name: 1-(4-fluorobenzyl)-3-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)F)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)F)OCC(C1=O)(C)C

InChI

InChI=1S/C22H26FN3O3/c1-4-11-26-18-12-17(9-10-19(18)29-14-22(2,3)20(26)27)25-21(28)24-13-15-5-7-16(23)8-6-15/h5-10,12H,4,11,13-14H2,1-3H3,(H2,24,25,28)