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

Systemtic Name: 1-(3-chlorophenyl)-3-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]urea Openeye Name: 1-(3-chlorophenyl)-3-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)urea CAS Name: 1-(3-chlorophenyl)-3-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]urea Traditional Name: 1-(3-chlorophenyl)-3-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)urea Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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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)Cl)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-14(2)9-10-26-13-16-11-19(7-8-20(16)29-15(3)21(26)27)25-22(28)24-18-6-4-5-17(23)12-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H2,24,25,28)