(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[9-(oxan-2-ylmethoxy)-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[9-(oxan-2-ylmethoxy)-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[7-(3-pyridyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[9-(2-oxanylmethoxy)-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[9-(oxan-2-ylmethoxy)-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[7-(3-pyridyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C31H31N3O5 MolecularWeight: 525.59494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCOC4=C(C3)C=C(C=C4OCC5CCCCO5)C6=CN=CC=C6

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCOC4=C(C3)C=C(C=C4OCC5CCCCO5)C6=CN=CC=C6

InChI

InChI=1S/C31H31N3O5/c1-21-28(29(33-39-21)22-8-3-2-4-9-22)31(35)34-13-15-37-30-25(19-34)16-24(23-10-7-12-32-18-23)17-27(30)38-20-26-11-5-6-14-36-26/h2-4,7-10,12,16-18,26H,5-6,11,13-15,19-20H2,1H3