1-[2-ethyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-ethyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)urea CAS Name: 1-[2-ethyl-3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)urea Traditional Name: 1-benzyl-3-(4-benzyl-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl)urea Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c1-2-23-25(30)29(17-20-11-7-4-8-12-20)18-21-15-22(13-14-24(21)32-23)28-26(31)27-16-19-9-5-3-6-10-19/h3-15,23H,2,16-18H2,1H3,(H2,27,28,31)