1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(phenylmethyl)urea

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-benzyl-3-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C22H27N3O3/c1-4-12-25-18-13-17(10-11-19(18)28-15-22(2,3)20(25)26)24-21(27)23-14-16-8-6-5-7-9-16/h5-11,13H,4,12,14-15H2,1-3H3,(H2,23,24,27)