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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(diphenylmethyl)urea Openeye Name: 1-benzhydryl-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(diphenylmethyl)urea IUPAC Name: 1-benzhydryl-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-benzhydryl-3-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C28H31N3O3/c1-4-17-31-23-18-22(15-16-24(23)34-19-28(2,3)26(31)32)29-27(33)30-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18,25H,4,17,19H2,1-3H3,(H2,29,30,33)