1-[7-(3-chlorophenyl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-[7-(3-chlorophenyl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Openeye Name: 1-[7-(3-chlorophenyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone CAS Name: 1-[7-(3-chlorophenyl)-9-(2-oxanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1-pyrazolyl)ethanone IUPAC Name: 1-[7-(3-chlorophenyl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-ylethanone Traditional Name: 1-[7-(3-chlorophenyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Formula: C26H28ClN3O4 MolecularWeight: 481.97122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COC2=CC(=CC3=C2OCCN(C3)C(=O)CN4C=CC=N4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCOC(C1)COC2=CC(=CC3=C2OCCN(C3)C(=O)CN4C=CC=N4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H28ClN3O4/c27-22-6-3-5-19(14-22)20-13-21-16-29(25(31)17-30-9-4-8-28-30)10-12-33-26(21)24(15-20)34-18-23-7-1-2-11-32-23/h3-6,8-9,13-15,23H,1-2,7,10-12,16-18H2