N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-chloranyl-6-fluoranyl-benzamide

Systemtic Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-chloro-6-fluoro-benzamide CAS Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-chloro-6-fluorobenzamide IUPAC Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-chloro-6-fluorobenzamide Traditional Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-chloro-6-fluoro-benzamide Formula: C22H26ClFN2O2 MolecularWeight: 404.905443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CCNC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CCNC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H26ClFN2O2/c1-2-3-8-17-15-26(14-16-7-4-5-11-20(16)28-17)13-12-25-22(27)21-18(23)9-6-10-19(21)24/h4-7,9-11,17H,2-3,8,12-15H2,1H3,(H,25,27)/t17-/m0/s1