N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide Traditional Name: N-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-2-(2-thienyl)acetamide Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CS3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CS3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H28N2O5S/c1-17-26(30)28(11-10-18-6-8-23(31-2)24(13-18)32-3)16-19-14-20(7-9-22(19)33-17)27-25(29)15-21-5-4-12-34-21/h4-9,12-14,17H,10-11,15-16H2,1-3H3,(H,27,29)