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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-[(4-methoxyphenyl)methyl]urea Openeye Name: 1-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-[(4-methoxyphenyl)methyl]urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-[(4-methoxyphenyl)methyl]urea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-[(4-methoxyphenyl)methyl]urea Traditional Name: 1-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-p-anisyl-urea Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)OC)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C25H33N3O4/c1-17(2)12-13-28-21-14-19(8-11-22(21)32-16-25(3,4)23(28)29)27-24(30)26-15-18-6-9-20(31-5)10-7-18/h6-11,14,17H,12-13,15-16H2,1-5H3,(H2,26,27,30)