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

Systemtic Name: 4-chloranyl-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 4-chloro-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: 4-chloro-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 4-chloro-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 4-chloro-N-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C27H27ClN2O5 MolecularWeight: 494.96668

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27ClN2O5/c1-17-27(32)30(13-12-18-4-10-24(33-2)25(14-18)34-3)16-20-15-22(9-11-23(20)35-17)29-26(31)19-5-7-21(28)8-6-19/h4-11,14-15,17H,12-13,16H2,1-3H3,(H,29,31)