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

Systemtic Name: 1-(3-methoxyphenyl)-3-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]urea Openeye Name: 1-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea CAS Name: 1-(3-methoxyphenyl)-3-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]urea Traditional Name: 1-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Formula: C23H29N3O4 MolecularWeight: 411.49406

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-15(2)10-11-26-14-17-12-19(8-9-21(17)30-16(3)22(26)27)25-23(28)24-18-6-5-7-20(13-18)29-4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(H2,24,25,28)