4-[4-[[2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[[2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[[2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[[2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[[2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-[[2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Formula: C28H29NO3 MolecularWeight: 427.53476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)CN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4OC)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)CN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4OC)O

InChI

InChI=1S/C28H29NO3/c1-28(2,30)17-16-21-12-14-22(15-13-21)18-29-19-23-8-4-6-10-25(23)32-27(20-29)24-9-5-7-11-26(24)31-3/h4-15,27,30H,18-20H2,1-3H3