(2S)-2-[4-[(3-methylquinoxalin-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol

Systemtic Name: (2S)-2-[4-[(3-methylquinoxalin-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol Openeye Name: (2S)-2-[4-[(3-methylquinoxalin-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol CAS Name: (2S)-2-[4-[(3-methyl-2-quinoxalinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-2-propanol IUPAC Name: (2S)-2-[4-[(3-methylquinoxalin-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxypropan-2-ol Traditional Name: (2S)-2-[4-[(3-methylquinoxalin-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol Formula: C28H29N3O3 MolecularWeight: 455.54816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CCOC4=C(C3)C=C(C=C4)C(C)(COC5=CC=CC=C5)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CCOC4=C(C3)C=C(C=C4)[C@@](C)(COC5=CC=CC=C5)O

InChI

InChI=1S/C28H29N3O3/c1-20-26(30-25-11-7-6-10-24(25)29-20)18-31-14-15-33-27-13-12-22(16-21(27)17-31)28(2,32)19-34-23-8-4-3-5-9-23/h3-13,16,32H,14-15,17-19H2,1-2H3/t28-/m1/s1