1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-7-yl)-3-veratryl-urea Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)OC)OC)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)OC)OC)N(C1=O)C)C

InChI

InChI=1S/C22H27N3O5/c1-22(2)13-30-17-9-7-15(11-16(17)25(3)20(22)26)24-21(27)23-12-14-6-8-18(28-4)19(10-14)29-5/h6-11H,12-13H2,1-5H3,(H2,23,24,27)