2-methyl-1-[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

Systemtic Name: 2-methyl-1-[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 2-methyl-1-[7-(5-methyl-2-thienyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 2-methyl-1-[7-(5-methyl-2-thiophenyl)-9-(2-oxanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 2-methyl-1-[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 2-methyl-1-[7-(5-methyl-2-thienyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C24H31NO4S MolecularWeight: 429.57224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCC4CCCCO4)OCCN(C3)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCC4CCCCO4)OCCN(C3)C(=O)C(C)C

InChI

InChI=1S/C24H31NO4S/c1-16(2)24(26)25-9-11-28-23-19(14-25)12-18(22-8-7-17(3)30-22)13-21(23)29-15-20-6-4-5-10-27-20/h7-8,12-13,16,20H,4-6,9-11,14-15H2,1-3H3