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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(diphenylmethyl)urea Openeye Name: 1-benzhydryl-3-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(diphenylmethyl)urea IUPAC Name: 1-benzhydryl-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea Traditional Name: 1-benzhydryl-3-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C30H35N3O3/c1-21(2)17-18-33-25-19-24(15-16-26(25)36-20-30(3,4)28(33)34)31-29(35)32-27(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,19,21,27H,17-18,20H2,1-4H3,(H2,31,32,35)