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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[9-(oxan-2-ylmethoxy)-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[7-(3-pyridyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[9-(2-oxanylmethoxy)-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[9-(oxan-2-ylmethoxy)-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[7-(3-pyridyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C33H36N4O4 MolecularWeight: 552.66334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCOC4=C(C3)C=C(C=C4OCC5CCCCO5)C6=CN=CC=C6

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCOC4=C(C3)C=C(C=C4OCC5CCCCO5)C6=CN=CC=C6

InChI

InChI=1S/C33H36N4O4/c1-23-30(24(2)37(35-23)28-10-4-3-5-11-28)19-32(38)36-14-16-40-33-27(21-36)17-26(25-9-8-13-34-20-25)18-31(33)41-22-29-12-6-7-15-39-29/h3-5,8-11,13,17-18,20,29H,6-7,12,14-16,19,21-22H2,1-2H3