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

Systemtic Name: 4-chloranyl-N-[4-[2-(4-methoxyphenyl)ethyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 4-chloro-N-[4-[2-(4-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: 4-chloro-N-[4-[2-(4-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 4-chloro-N-[4-[2-(4-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 4-chloro-N-[3-keto-4-[2-(4-methoxyphenyl)ethyl]-5H-1,4-benzoxazepin-7-yl]benzamide Formula: C25H23ClN2O4 MolecularWeight: 450.91412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)Cl)OCC2=O

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)Cl)OCC2=O

InChI

InChI=1S/C25H23ClN2O4/c1-31-22-9-2-17(3-10-22)12-13-28-15-19-14-21(8-11-23(19)32-16-24(28)29)27-25(30)18-4-6-20(26)7-5-18/h2-11,14H,12-13,15-16H2,1H3,(H,27,30)