1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-(naphthalen-1-ylmethyl)urea

Systemtic Name: 1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-(naphthalen-1-ylmethyl)urea Openeye Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthylmethyl)urea CAS Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthalenylmethyl)urea IUPAC Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(naphthalen-1-ylmethyl)urea Traditional Name: 1-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(1-naphthylmethyl)urea Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC4=CC=CC=C43)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC4=CC=CC=C43)OCC(C1=O)(C)C

InChI

InChI=1S/C25H27N3O3/c1-4-28-21-14-19(12-13-22(21)31-16-25(2,3)23(28)29)27-24(30)26-15-18-10-7-9-17-8-5-6-11-20(17)18/h5-14H,4,15-16H2,1-3H3,(H2,26,27,30)