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

Systemtic Name: 1-[9-[(1-methylpiperidin-3-yl)methoxy]-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[9-[(1-methyl-3-piperidyl)methoxy]-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[9-[(1-methyl-3-piperidinyl)methoxy]-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[9-[(1-methylpiperidin-3-yl)methoxy]-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[9-[(1-methyl-3-piperidyl)methoxy]-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylthio)ethanone Formula: C28H33N3O3S2 MolecularWeight: 523.70992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCC4CCCN(C4)C)OCCN(C3)C(=O)CSC5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCC4CCCN(C4)C)OCCN(C3)C(=O)CSC5=CC=CC=N5

InChI

InChI=1S/C28H33N3O3S2/c1-20-8-9-25(36-20)22-14-23-17-31(27(32)19-35-26-7-3-4-10-29-26)12-13-33-28(23)24(15-22)34-18-21-6-5-11-30(2)16-21/h3-4,7-10,14-15,21H,5-6,11-13,16-19H2,1-2H3