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

Systemtic Name: N-[2-methyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-benzyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-methyl-3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-benzyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-benzyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-piperonylamide Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O5/c1-16-25(29)27(13-17-5-3-2-4-6-17)14-19-11-20(8-10-21(19)32-16)26-24(28)18-7-9-22-23(12-18)31-15-30-22/h2-12,16H,13-15H2,1H3,(H,26,28)