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

Systemtic Name: 1-ethyl-3-[2-ethyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]urea Openeye Name: 1-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-ethyl-urea CAS Name: 1-ethyl-3-[2-ethyl-3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]urea IUPAC Name: 1-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-ethylurea Traditional Name: 1-(4-benzyl-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl)-3-ethyl-urea Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC)CC3=CC=CC=C3

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-3-18-20(25)24(13-15-8-6-5-7-9-15)14-16-12-17(10-11-19(16)27-18)23-21(26)22-4-2/h5-12,18H,3-4,13-14H2,1-2H3,(H2,22,23,26)