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

Systemtic Name: 1-[2-ethyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(3-methoxyphenyl)urea Openeye Name: 1-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea CAS Name: 1-[2-ethyl-3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Traditional Name: 1-(4-benzyl-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-3-23-25(30)29(16-18-8-5-4-6-9-18)17-19-14-21(12-13-24(19)33-23)28-26(31)27-20-10-7-11-22(15-20)32-2/h4-15,23H,3,16-17H2,1-2H3,(H2,27,28,31)