1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(2-methoxyethyl)urea

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(2-methoxyethyl)urea Openeye Name: 1-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(2-methoxyethyl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(2-methoxyethyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(2-methoxyethyl)urea Traditional Name: 1-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(2-methoxyethyl)urea Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)NCCOC)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)NCCOC)OCC(C1=O)(C)C

InChI

InChI=1S/C20H31N3O4/c1-14(2)8-10-23-16-7-6-15(22-19(25)21-9-11-26-5)12-17(16)27-13-20(3,4)18(23)24/h6-7,12,14H,8-11,13H2,1-5H3,(H2,21,22,25)