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

Systemtic Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(4-pyridylthio)ethanone Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CCCCC1)C2=CC3=C(C=C2)OCCN(C3)C(=O)CSC4=CC=NC=C4

Isomeric SMILES

COC(C1CCCCC1)C2=CC3=C(C=C2)OCCN(C3)C(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C24H30N2O3S/c1-28-24(18-5-3-2-4-6-18)19-7-8-22-20(15-19)16-26(13-14-29-22)23(27)17-30-21-9-11-25-12-10-21/h7-12,15,18,24H,2-6,13-14,16-17H2,1H3