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

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenyl-acetamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide Traditional Name: N-(2-ethyl-4-homoveratryl-3-keto-5H-1,4-benzoxazepin-7-yl)-2-phenyl-acetamide Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H32N2O5/c1-4-24-29(33)31(15-14-21-10-12-26(34-2)27(16-21)35-3)19-22-18-23(11-13-25(22)36-24)30-28(32)17-20-8-6-5-7-9-20/h5-13,16,18,24H,4,14-15,17,19H2,1-3H3,(H,30,32)