1-[7-[(R)-ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[7-[(R)-ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[7-[(R)-ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[7-[(R)-ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[7-[(R)-ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[7-[(R)-ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(4-pyridylthio)ethanone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCN(C3)C(=O)CSC4=CC=NC=C4

Isomeric SMILES

CCO[C@H](C1=CC=CC=C1)C2=CC3=C(C=C2)OCCN(C3)C(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C25H26N2O3S/c1-2-29-25(19-6-4-3-5-7-19)20-8-9-23-21(16-20)17-27(14-15-30-23)24(28)18-31-22-10-12-26-13-11-22/h3-13,16,25H,2,14-15,17-18H2,1H3/t25-/m1/s1