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

Systemtic Name: 1-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-phenyl-urea Openeye Name: 1-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-phenyl-urea CAS Name: 1-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-phenylurea IUPAC Name: 1-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-phenylurea Traditional Name: 1-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-3-phenyl-urea Formula: C22H27N3O3 MolecularWeight: 381.46808

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-15(2)11-12-25-14-17-13-19(9-10-20(17)28-16(3)21(25)26)24-22(27)23-18-7-5-4-6-8-18/h4-10,13,15-16H,11-12,14H2,1-3H3,(H2,23,24,27)