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

Systemtic Name: 1-ethyl-3-[4-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]urea Openeye Name: 1-ethyl-3-[4-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]urea CAS Name: 1-ethyl-3-[4-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]urea IUPAC Name: 1-ethyl-3-[4-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]urea Traditional Name: 1-ethyl-3-[3-keto-4-[2-(2-methoxyphenyl)ethyl]-2-methyl-5H-1,4-benzoxazepin-7-yl]urea Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C(C=C1)OC(C(=O)N(C2)CCC3=CC=CC=C3OC)C

Isomeric SMILES

CCNC(=O)NC1=CC2=C(C=C1)OC(C(=O)N(C2)CCC3=CC=CC=C3OC)C

InChI

InChI=1S/C22H27N3O4/c1-4-23-22(27)24-18-9-10-20-17(13-18)14-25(21(26)15(2)29-20)12-11-16-7-5-6-8-19(16)28-3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H2,23,24,27)