1-[(2S)-8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(6-fluoranyl-1H-benzimidazol-2-yl)propan-1-one

Systemtic Name: 1-[(2S)-8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(6-fluoranyl-1H-benzimidazol-2-yl)propan-1-one Openeye Name: 1-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)propan-1-one CAS Name: 1-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)-1-propanone IUPAC Name: 1-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)propan-1-one Traditional Name: 1-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)propan-1-one Formula: C21H21ClFN3O2 MolecularWeight: 401.861743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)CCC3=NC4=C(N3)C=C(C=C4)F

Isomeric SMILES

CC[C@H]1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)CCC3=NC4=C(N3)C=C(C=C4)F

InChI

InChI=1S/C21H21ClFN3O2/c1-2-16-12-26(11-13-3-4-14(22)9-19(13)28-16)21(27)8-7-20-24-17-6-5-15(23)10-18(17)25-20/h3-6,9-10,16H,2,7-8,11-12H2,1H3,(H,24,25)/t16-/m0/s1