1-(4-butan-2-yl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea

Systemtic Name: 1-(4-butan-2-yl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Openeye Name: 1-(3-methoxyphenyl)-3-(3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)urea CAS Name: 1-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea IUPAC Name: 1-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Traditional Name: 1-(3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)OCC1=O

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)OCC1=O

InChI

InChI=1S/C21H25N3O4/c1-4-14(2)24-12-15-10-17(8-9-19(15)28-13-20(24)25)23-21(26)22-16-6-5-7-18(11-16)27-3/h5-11,14H,4,12-13H2,1-3H3,(H2,22,23,26)