1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(diphenylmethyl)urea

Systemtic Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(diphenylmethyl)urea Openeye Name: 1-benzhydryl-3-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(diphenylmethyl)urea IUPAC Name: 1-benzhydryl-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea Traditional Name: 1-benzhydryl-3-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C29H33N3O3/c1-20(2)18-32-24-17-23(15-16-25(24)35-19-29(3,4)27(32)33)30-28(34)31-26(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17,20,26H,18-19H2,1-4H3,(H2,30,31,34)