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

Systemtic Name: 1-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)urea CAS Name: 1-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]urea Traditional Name: 1-benzyl-3-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)urea Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CCC(C)C

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CCC(C)C

InChI

InChI=1S/C23H29N3O3/c1-16(2)11-12-26-15-19-13-20(9-10-21(19)29-17(3)22(26)27)25-23(28)24-14-18-7-5-4-6-8-18/h4-10,13,16-17H,11-12,14-15H2,1-3H3,(H2,24,25,28)