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

Systemtic Name: 1-[9-[[(2R)-oxan-2-yl]methoxy]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenyl-ethanone Openeye Name: 2-phenyl-1-[7-(3-pyridyl)-9-[[(2R)-tetrahydropyran-2-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[9-[[(2R)-2-oxanyl]methoxy]-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylethanone IUPAC Name: 1-[9-[[(2R)-oxan-2-yl]methoxy]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylethanone Traditional Name: 2-phenyl-1-[7-(3-pyridyl)-9-[[(2R)-tetrahydropyran-2-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COC2=CC(=CC3=C2OCCN(C3)C(=O)CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CCO[C@H](C1)COC2=CC(=CC3=C2OCCN(C3)C(=O)CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H30N2O4/c31-27(15-21-7-2-1-3-8-21)30-12-14-33-28-24(19-30)16-23(22-9-6-11-29-18-22)17-26(28)34-20-25-10-4-5-13-32-25/h1-3,6-9,11,16-18,25H,4-5,10,12-15,19-20H2/t25-/m1/s1