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

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

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

Isomeric SMILES

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

InChI

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