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

Systemtic Name: 1-[9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[9-methoxy-7-(p-tolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[9-methoxy-7-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[9-methoxy-7-(p-tolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylthio)ethanone Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CSC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C24H24N2O3S/c1-17-6-8-18(9-7-17)19-13-20-15-26(11-12-29-24(20)21(14-19)28-2)23(27)16-30-22-5-3-4-10-25-22/h3-10,13-14H,11-12,15-16H2,1-2H3