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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-veratryl-urea Formula: C24H29N3O5 MolecularWeight: 439.50416

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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)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5/c1-6-11-27-18-13-17(8-10-19(18)32-15-24(2,3)22(27)28)26-23(29)25-14-16-7-9-20(30-4)21(12-16)31-5/h6-10,12-13H,1,11,14-15H2,2-5H3,(H2,25,26,29)