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

Systemtic Name: 1-[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 1-[7-(5-methyl-2-thienyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 1-[7-(5-methyl-2-thiophenyl)-9-(2-oxanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 1-[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 1-[7-(5-methyl-2-thienyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCCO3)C4=CC=C(S4)C

Isomeric SMILES

CCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCCO3)C4=CC=C(S4)C

InChI

InChI=1S/C23H29NO4S/c1-3-22(25)24-9-11-27-23-18(14-24)12-17(21-8-7-16(2)29-21)13-20(23)28-15-19-6-4-5-10-26-19/h7-8,12-13,19H,3-6,9-11,14-15H2,1-2H3