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

Systemtic Name: 1-[2-methyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(4-benzyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)urea CAS Name: 1-[2-methyl-3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(4-benzyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)urea Traditional Name: 1-benzyl-3-(4-benzyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)urea Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3/c1-18-24(29)28(16-20-10-6-3-7-11-20)17-21-14-22(12-13-23(21)31-18)27-25(30)26-15-19-8-4-2-5-9-19/h2-14,18H,15-17H2,1H3,(H2,26,27,30)