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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-veratryl-urea Formula: C21H25N3O5 MolecularWeight: 399.4403

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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)NC1=O)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)OC)OC)NC1=O)C

InChI

InChI=1S/C21H25N3O5/c1-21(2)12-29-16-8-6-14(10-15(16)24-19(21)25)23-20(26)22-11-13-5-7-17(27-3)18(9-13)28-4/h5-10H,11-12H2,1-4H3,(H,24,25)(H2,22,23,26)