1-(4-butoxyphenyl)-3-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea

Systemtic Name: 1-(4-butoxyphenyl)-3-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(4-butoxyphenyl)-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(4-butoxyphenyl)-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(4-butoxyphenyl)-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(4-butoxyphenyl)-3-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3C)(C)C

InChI

InChI=1S/C23H29N3O4/c1-5-6-13-29-18-10-7-16(8-11-18)24-22(28)25-17-9-12-20-19(14-17)26(4)21(27)23(2,3)15-30-20/h7-12,14H,5-6,13,15H2,1-4H3,(H2,24,25,28)