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

Systemtic Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-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-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea Traditional Name: 1-benzyl-3-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C23H29N3O3/c1-16(2)14-26-19-12-18(10-11-20(19)29-15-23(3,4)21(26)27)25-22(28)24-13-17-8-6-5-7-9-17/h5-12,16H,13-15H2,1-4H3,(H2,24,25,28)