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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)OC(C1=O)C

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)OC(C1=O)C

InChI

InChI=1S/C22H27N3O4/c1-5-14(2)25-13-16-11-18(9-10-20(16)29-15(3)21(25)26)24-22(27)23-17-7-6-8-19(12-17)28-4/h6-12,14-15H,5,13H2,1-4H3,(H2,23,24,27)