1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-indazol-1-yl-ethanone

Systemtic Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-indazol-1-yl-ethanone Openeye Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-indazol-1-yl-ethanone CAS Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1-indazolyl)ethanone IUPAC Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-indazol-1-ylethanone Traditional Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-indazol-1-yl-ethanone Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)C(=O)CN3C4=CC=CC=C4C=N3

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)C(=O)CN3C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H25N3O2/c1-2-3-10-19-15-24(14-18-9-5-7-12-21(18)27-19)22(26)16-25-20-11-6-4-8-17(20)13-23-25/h4-9,11-13,19H,2-3,10,14-16H2,1H3/t19-/m0/s1