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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenyl-urea Openeye Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenyl-urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenylurea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenylurea Traditional Name: 1-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenyl-urea Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

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