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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-pentan-3-yl-urea Openeye Name: 1-(1-ethylpropyl)-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-pentan-3-ylurea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-pentan-3-ylurea Traditional Name: 1-(1-ethylpropyl)-3-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)urea Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

Isomeric SMILES

CCC(CC)NC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

InChI

InChI=1S/C22H35N3O3/c1-7-16(8-2)23-21(27)24-17-9-10-18-19(13-17)28-14-22(5,6)20(26)25(18)12-11-15(3)4/h9-10,13,15-16H,7-8,11-12,14H2,1-6H3,(H2,23,24,27)