1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(2-methylphenyl)urea Openeye Name: 1-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(o-tolyl)urea CAS Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(2-methylphenyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(2-methylphenyl)urea Traditional Name: 1-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(o-tolyl)urea Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

InChI

InChI=1S/C23H29N3O3/c1-15(2)13-26-19-11-10-17(12-20(19)29-14-23(4,5)21(26)27)24-22(28)25-18-9-7-6-8-16(18)3/h6-12,15H,13-14H2,1-5H3,(H2,24,25,28)