1-[[1-(2,2-dimethylpropyl)-2-oxidanylidene-5-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]methyl]-3-[(2-fluorophenyl)methyl]urea

Systemtic Name: 1-[[1-(2,2-dimethylpropyl)-2-oxidanylidene-5-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]methyl]-3-[(2-fluorophenyl)methyl]urea Openeye Name: 1-[[5-benzyl-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]methyl]-3-[(2-fluorophenyl)methyl]urea CAS Name: 1-[[1-(2,2-dimethylpropyl)-2-oxo-5-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]methyl]-3-[(2-fluorophenyl)methyl]urea IUPAC Name: 1-[[5-benzyl-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]methyl]-3-[(2-fluorophenyl)methyl]urea Traditional Name: 1-[(5-benzyl-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl)methyl]-3-(2-fluorobenzyl)urea Formula: C30H34FN3O3 MolecularWeight: 503.607663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=CC=CC=C2C(OC(C1=O)CNC(=O)NCC3=CC=CC=C3F)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)CN1C2=CC=CC=C2C(OC(C1=O)CNC(=O)NCC3=CC=CC=C3F)CC4=CC=CC=C4

InChI

InChI=1S/C30H34FN3O3/c1-30(2,3)20-34-25-16-10-8-14-23(25)26(17-21-11-5-4-6-12-21)37-27(28(34)35)19-33-29(36)32-18-22-13-7-9-15-24(22)31/h4-16,26-27H,17-20H2,1-3H3,(H2,32,33,36)