1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-pentan-3-yl-urea

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-pentan-3-yl-urea Openeye Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(1-ethylpropyl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-pentan-3-ylurea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-pentan-3-ylurea Traditional Name: 1-(1-ethylpropyl)-3-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)urea Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-6-11-23-16-10-9-15(22-19(25)21-14(7-2)8-3)12-17(16)26-13-20(4,5)18(23)24/h9-10,12,14H,6-8,11,13H2,1-5H3,(H2,21,22,25)