N-[4-(2-methylpropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(2-methylpropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-isobutyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-isobutyl-3-keto-5H-1,4-benzoxazepin-7-yl)-piperonylamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)OCC1=O

Isomeric SMILES

CC(C)CN1CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)OCC1=O

InChI

InChI=1S/C21H22N2O5/c1-13(2)9-23-10-15-7-16(4-6-17(15)26-11-20(23)24)22-21(25)14-3-5-18-19(8-14)28-12-27-18/h3-8,13H,9-12H2,1-2H3,(H,22,25)