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

Systemtic Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Openeye Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone CAS Name: 1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methyl-1-pyrazolyl)ethanone IUPAC Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Traditional Name: 1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=NN1CC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H25N3O3S/c1-16-8-9-24-26(16)15-22(27)25-10-11-29-23-19(14-25)12-18(13-21(23)28-2)17-4-6-20(30-3)7-5-17/h4-9,12-13H,10-11,14-15H2,1-3H3