1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(4-fluorophenyl)urea

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(4-fluorophenyl)urea Openeye Name: 1-(4-fluorophenyl)-3-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(4-fluorophenyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(4-fluorophenyl)urea Traditional Name: 1-(4-fluorophenyl)-3-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)urea Formula: C23H28FN3O3 MolecularWeight: 413.485123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F)OCC(C1=O)(C)C

InChI

InChI=1S/C23H28FN3O3/c1-15(2)11-12-27-19-10-9-18(13-20(19)30-14-23(3,4)21(27)28)26-22(29)25-17-7-5-16(24)6-8-17/h5-10,13,15H,11-12,14H2,1-4H3,(H2,25,26,29)