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

Systemtic Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-phenyl-urea Openeye Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-phenyl-urea CAS Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-phenylurea IUPAC Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-phenylurea Traditional Name: 1-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-3-phenyl-urea Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H29N3O5/c1-18-26(31)30(14-13-19-9-11-24(33-2)25(15-19)34-3)17-20-16-22(10-12-23(20)35-18)29-27(32)28-21-7-5-4-6-8-21/h4-12,15-16,18H,13-14,17H2,1-3H3,(H2,28,29,32)