1-[7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-[7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Openeye Name: 1-[7-(o-tolyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone CAS Name: 1-[7-(2-methylphenyl)-9-[[(3S)-3-oxolanyl]oxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1-pyrazolyl)ethanone IUPAC Name: 1-[7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-ylethanone Traditional Name: 1-[7-(o-tolyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)C(=O)CN5C=CC=N5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)O[C@H]4CCOC4)OCCN(C3)C(=O)CN5C=CC=N5

InChI

InChI=1S/C25H27N3O4/c1-18-5-2-3-6-22(18)19-13-20-15-27(24(29)16-28-9-4-8-26-28)10-12-31-25(20)23(14-19)32-21-7-11-30-17-21/h2-6,8-9,13-14,21H,7,10-12,15-17H2,1H3/t21-/m0/s1