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

Systemtic Name: 1-(4-butoxyphenyl)-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]urea Openeye Name: 1-(4-butoxyphenyl)-3-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(4-butoxyphenyl)-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea Traditional Name: 1-(4-butoxyphenyl)-3-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C

InChI

InChI=1S/C26H35N3O4/c1-6-7-14-32-21-11-8-19(9-12-21)27-25(31)28-20-10-13-23-22(15-20)29(16-18(2)3)24(30)26(4,5)17-33-23/h8-13,15,18H,6-7,14,16-17H2,1-5H3,(H2,27,28,31)