1-[4-[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[9-methoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidino]ethanone Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCCN(C3)C4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCCN(C3)C4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H28N2O3S/c1-15-4-5-21(28-15)17-12-18-14-24(10-11-27-22(18)20(13-17)26-3)19-6-8-23(9-7-19)16(2)25/h4-5,12-13,19H,6-11,14H2,1-3H3