4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 4-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C31H28N2O4 MolecularWeight: 492.56502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)CN3CCOC4=C(C3)C=C(C=C4O)C5=CN=CC=C5)OC)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)CN3CCOC4=C(C3)C=C(C=C4O)C5=CN=CC=C5)OC)C6=CC=CC=C6

InChI

InChI=1S/C31H28N2O4/c1-20-30(21-7-4-3-5-8-21)26-16-28(35-2)24(15-29(26)37-20)18-33-11-12-36-31-25(19-33)13-23(14-27(31)34)22-9-6-10-32-17-22/h3-10,13-17,34H,11-12,18-19H2,1-2H3