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

Systemtic Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(3-phenylpropyl)urea Openeye Name: 1-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(3-phenylpropyl)urea CAS Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(3-phenylpropyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(3-phenylpropyl)urea Traditional Name: 1-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(3-phenylpropyl)urea Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NCCCC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NCCCC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C25H33N3O3/c1-18(2)16-28-21-15-20(12-13-22(21)31-17-25(3,4)23(28)29)27-24(30)26-14-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-13,15,18H,8,11,14,16-17H2,1-4H3,(H2,26,27,30)