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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-ethyl-urea Openeye Name: 1-ethyl-3-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-ethylurea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-ethylurea Traditional Name: 1-ethyl-3-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)urea Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

Isomeric SMILES

CCNC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

InChI

InChI=1S/C19H29N3O3/c1-6-20-18(24)21-14-7-8-15-16(11-14)25-12-19(4,5)17(23)22(15)10-9-13(2)3/h7-8,11,13H,6,9-10,12H2,1-5H3,(H2,20,21,24)