3,4-bis(chloranyl)-N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 3,4-dichloro-N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: 3,4-dichloro-N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 3,4-dichloro-N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 3,4-dichloro-N-[2-ethyl-3-keto-4-(3-methoxypropyl)-5H-1,4-benzoxazepin-7-yl]benzamide Formula: C22H24Cl2N2O4 MolecularWeight: 451.34296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)CCCOC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)CCCOC

InChI

InChI=1S/C22H24Cl2N2O4/c1-3-19-22(28)26(9-4-10-29-2)13-15-11-16(6-8-20(15)30-19)25-21(27)14-5-7-17(23)18(24)12-14/h5-8,11-12,19H,3-4,9-10,13H2,1-2H3,(H,25,27)