1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(4-methoxyphenyl)urea

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(4-methoxyphenyl)urea Openeye Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(4-methoxyphenyl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(4-methoxyphenyl)urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(4-methoxyphenyl)urea Traditional Name: 1-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-(4-methoxyphenyl)urea Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C22H27N3O4/c1-5-12-25-18-13-16(8-11-19(18)29-14-22(2,3)20(25)26)24-21(27)23-15-6-9-17(28-4)10-7-15/h6-11,13H,5,12,14H2,1-4H3,(H2,23,24,27)